1-[2-bis(2-methoxyphenyl)phosphanylphenyl]-N-(2-diphenylphosphanylphenyl)methanimine

C39H33NO2P2 — CID 101383931

IUPAC1-[2-bis(2-methoxyphenyl)phosphanylphenyl]-N-(2-diphenylphosphanylphenyl)methanimine
SMILESCOc1ccccc1P(c1ccccc1/C=N\c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1OC
InChIInChI=1S/C39H33NO2P2/c1-41-34-23-11-15-27-38(34)44(39-28-16-12-24-35(39)42-2)36-25-13-9-17-30(36)29-40-33-22-10-14-26-37(33)43(31-18-5-3-6-19-31)32-20-7-4-8-21-32/h3-29H,1-2H3/b40-29-
InChIKeyWHGLFIUSFPQRRH-MIDJFWNWSA-N
MW609.65 g/mol
LogP6.97
Rot. Bonds10

About 1-[2-bis(2-methoxyphenyl)phosphanylphenyl]-N-(2-diphenylphosphanylphenyl)methanimine

1-[2-bis(2-methoxyphenyl)phosphanylphenyl]-N-(2-diphenylphosphanylphenyl)methanimine (PubChem CID 101383931) has the molecular formula C39H33NO2P2 and a molecular weight of 609.65 g/mol. Its IUPAC name is 1-[2-bis(2-methoxyphenyl)phosphanylphenyl]-N-(2-diphenylphosphanylphenyl)methanimine.

Molecular Properties

Compound Name1-[2-bis(2-methoxyphenyl)phosphanylphenyl]-N-(2-diphenylphosphanylphenyl)methanimine
PubChem CID101383931
Molecular FormulaC39H33NO2P2
Molecular Weight609.65 g/mol
Exact Mass609.20
IUPAC Name1-[2-bis(2-methoxyphenyl)phosphanylphenyl]-N-(2-diphenylphosphanylphenyl)methanimine
SMILESCOc1ccccc1P(c1ccccc1/C=N\c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1OC
InChIInChI=1S/C39H33NO2P2/c1-41-34-23-11-15-27-38(34)44(39-28-16-12-24-35(39)42-2)36-25-13-9-17-30(36)29-40-33-22-10-14-26-37(33)43(31-18-5-3-6-19-31)32-20-7-4-8-21-32/h3-29H,1-2H3/b40-29-
InChIKeyWHGLFIUSFPQRRH-MIDJFWNWSA-N
XLogP6.97
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.65
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine
CID 10995682
N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine
CID 139103390
1-(2-bromophenyl)-N-(2-methoxyphenyl)methanimine
CID 71359959
dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine
CID 139240542
5-bromo-2-[(2-diphenylphosphanylphenyl)iminomethyl]phenol
CID 136784137
[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane
CID 134828499
N-(2-diphenylphosphanylphenyl)-1-thiophen-2-ylmethanimine
CID 102246105
2-diphenylphosphanyl-6-methoxyphenol
CID 58759318
2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol
CID 135595546
1-(2-diphenylphosphanylphenyl)-N-(1-phenyldiazenylnaphthalen-2-yl)methanimine
CID 101183018
ethane;1-(2-methoxyphenyl)-N-phenylmethanimine
CID 176714892
acetonitrile;carbanide;N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine;palladium(2+);tetrafluoroborate
CID 10995681

Frequently Asked Questions

What is the IUPAC name of 1-[2-bis(2-methoxyphenyl)phosphanylphenyl]-N-(2-diphenylphosphanylphenyl)methanimine?
The IUPAC name of 1-[2-bis(2-methoxyphenyl)phosphanylphenyl]-N-(2-diphenylphosphanylphenyl)methanimine (CID 101383931) is 1-[2-bis(2-methoxyphenyl)phosphanylphenyl]-N-(2-diphenylphosphanylphenyl)methanimine.
What is the SMILES notation for 1-[2-bis(2-methoxyphenyl)phosphanylphenyl]-N-(2-diphenylphosphanylphenyl)methanimine?
The canonical SMILES for 1-[2-bis(2-methoxyphenyl)phosphanylphenyl]-N-(2-diphenylphosphanylphenyl)methanimine is COc1ccccc1P(c1ccccc1/C=N\c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1OC.
What is the InChIKey of 1-[2-bis(2-methoxyphenyl)phosphanylphenyl]-N-(2-diphenylphosphanylphenyl)methanimine?
The InChIKey is WHGLFIUSFPQRRH-MIDJFWNWSA-N. The full InChI is InChI=1S/C39H33NO2P2/c1-41-34-23-11-15-27-38(34)44(39-28-16-12-24-35(39)42-2)36-25-13-9-17-30(36)29-40-33-22-10-14-26-37(33)43(31-18-5-3-6-19-31)32-20-7-4-8-21-32/h3-29H,1-2H3/b40-29-.
What are the key properties of 1-[2-bis(2-methoxyphenyl)phosphanylphenyl]-N-(2-diphenylphosphanylphenyl)methanimine?
1-[2-bis(2-methoxyphenyl)phosphanylphenyl]-N-(2-diphenylphosphanylphenyl)methanimine has a molecular weight of 609.65 g/mol, XLogP of 6.97, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bis(2-methoxyphenyl)phosphanylphenyl]-N-(2-diphenylphosphanylphenyl)methanimine is sourced from PubChem (CID 101383931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).