AdBippyphos
An aromatic compound, C44H47N4P, 662.862 g/mol. Appears in 5 documented reactions.
Identifiers
- Molecular formula
- C₄₄H₄₇N₄P
- Molecular weight
- 662.862 g/mol
- Exact mass
- 662.353834 g/mol
- c1ccc(-c2nn(-c3ccccc3)c(-c3ccccc3)c2-n2nccc2P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)cc1
- c1ccc(-c2nn(-c3ccccc3)c(-c3ccccc3)c2-n2nccc2P([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1
- InChI=1S/C44H47N4P/c1-4-10-36(11-5-1)40-42(41(37-12-6-2-7-13-37)47(46-40)38-14-8-3-9-15-38)48-39(16-17-45-48)49(43-24-30-18-31(25-43)20-32(19-30)26-43)44-27-33-21-34(28-44)23-35(22-33)29-44/h1-17,30-35H,18-29H2/t30-,31+,32-,33-,34+,35-,43-,44-
- IHFBOUNFWVRWAQ-GOSCEEDCSA-N
Calculated properties
- logP
- 10.4368
- Topological polar surface area
- 35.64 Ų
- H-bond donors
- 0
- H-bond acceptors
- 4
- Rotatable bonds
- 7
- Molar refractivity
- 199.918 cm³/mol
- Fraction sp³ carbons
- 0.4545
- QED drug-likeness
- 0.1627
What it is made of
Structure
- Heavy atoms, hydrogen excluded
- 49
- Total atoms, hydrogen included
- 96
- Rings
- 13
- Aromatic rings
- 5
- Stereocentres
- 8
- Formal charge
- 0
Functional groups
Aromatic ring
Aromatic ring (five-membered)
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
5 documented reactions involve AdBippyphos, each with a written procedure and a source, and all of them are suzuki–miyaura coupling. A few are shown.
Suzuki–Miyaura coupling
Suzuki–Miyaura coupling · as a catalyst
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Suzuki–Miyaura coupling
Suzuki–Miyaura coupling · as a catalyst
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Suzuki–Miyaura coupling
Suzuki–Miyaura coupling · as a catalyst
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as AdBippyphos. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
Where these values came from
chemistry engine
What this page does not claim
Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.
Where to next
More molecules under A
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C44H47N4P in a calculation, with every element's contribution shown.
Molarity calculator
Grams of AdBippyphos for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
The full record in the workstation: every atom, every bond, and the reactions it appears in.