[3-[bis(diphenylphosphanylmethyl)amino]phenyl]methanol

C33H31NOP2 — CID 11432367

IUPAC[3-[bis(diphenylphosphanylmethyl)amino]phenyl]methanol
SMILESOCc1cccc(N(CP(c2ccccc2)c2ccccc2)CP(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C33H31NOP2/c35-25-28-14-13-15-29(24-28)34(26-36(30-16-5-1-6-17-30)31-18-7-2-8-19-31)27-37(32-20-9-3-10-21-32)33-22-11-4-12-23-33/h1-24,35H,25-27H2
InChIKeyHFFMXFFDVKCWGC-UHFFFAOYSA-N
MW519.57 g/mol
LogP6.17
Rot. Bonds10

About [3-[bis(diphenylphosphanylmethyl)amino]phenyl]methanol

[3-[bis(diphenylphosphanylmethyl)amino]phenyl]methanol (PubChem CID 11432367) has the molecular formula C33H31NOP2 and a molecular weight of 519.57 g/mol. Its IUPAC name is [3-[bis(diphenylphosphanylmethyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[bis(diphenylphosphanylmethyl)amino]phenyl]methanol
PubChem CID11432367
Molecular FormulaC33H31NOP2
Molecular Weight519.57 g/mol
Exact Mass519.19
IUPAC Name[3-[bis(diphenylphosphanylmethyl)amino]phenyl]methanol
SMILESOCc1cccc(N(CP(c2ccccc2)c2ccccc2)CP(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C33H31NOP2/c35-25-28-14-13-15-29(24-28)34(26-36(30-16-5-1-6-17-30)31-18-7-2-8-19-31)27-37(32-20-9-3-10-21-32)33-22-11-4-12-23-33/h1-24,35H,25-27H2
InChIKeyHFFMXFFDVKCWGC-UHFFFAOYSA-N
XLogP6.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.57
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(acetonitrile);N,N-bis(diphenylphosphanylmethyl)aniline;palladium(2+);ditetrafluoroborate
CID 18692455
N,N-diphenylaniline;phenylmethanol
CID 174958363
phenylmethanol;triphenylphosphane
CID 172697327
[3-(N-anthracen-9-ylanilino)phenyl]methanol
CID 139983979
phenylmethanol;zirconium
CID 18688174
phenylmethanol;tungsten
CID 166544439
phenylmethanol;hydrate
CID 68812705
3-[bis(diphenylphosphanylmethyl)amino]propan-1-ol
CID 101203232
[3-(N-[7-(N-[3-(hydroxymethyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]anilino)phenyl]methanol
CID 20580158
2-[3-(hydroxymethyl)-N-methylanilino]acetonitrile
CID 130605488
2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol
CID 102813585
chlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane
CID 11480006

Frequently Asked Questions

What is the IUPAC name of [3-[bis(diphenylphosphanylmethyl)amino]phenyl]methanol?
The IUPAC name of [3-[bis(diphenylphosphanylmethyl)amino]phenyl]methanol (CID 11432367) is [3-[bis(diphenylphosphanylmethyl)amino]phenyl]methanol.
What is the SMILES notation for [3-[bis(diphenylphosphanylmethyl)amino]phenyl]methanol?
The canonical SMILES for [3-[bis(diphenylphosphanylmethyl)amino]phenyl]methanol is OCc1cccc(N(CP(c2ccccc2)c2ccccc2)CP(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [3-[bis(diphenylphosphanylmethyl)amino]phenyl]methanol?
The InChIKey is HFFMXFFDVKCWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31NOP2/c35-25-28-14-13-15-29(24-28)34(26-36(30-16-5-1-6-17-30)31-18-7-2-8-19-31)27-37(32-20-9-3-10-21-32)33-22-11-4-12-23-33/h1-24,35H,25-27H2.
What are the key properties of [3-[bis(diphenylphosphanylmethyl)amino]phenyl]methanol?
[3-[bis(diphenylphosphanylmethyl)amino]phenyl]methanol has a molecular weight of 519.57 g/mol, XLogP of 6.17, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[bis(diphenylphosphanylmethyl)amino]phenyl]methanol is sourced from PubChem (CID 11432367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).