N-[(R)-bis(4-methylphenyl)phosphoryl-phenylmethyl]-1,1-diphenylmethanamine

C34H32NOP — CID 53300687

IUPACN-[(R)-bis(4-methylphenyl)phosphoryl-phenylmethyl]-1,1-diphenylmethanamine
SMILESCc1ccc(P(=O)(c2ccc(C)cc2)[C@@H](NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H32NOP/c1-26-18-22-31(23-19-26)37(36,32-24-20-27(2)21-25-32)34(30-16-10-5-11-17-30)35-33(28-12-6-3-7-13-28)29-14-8-4-9-15-29/h3-25,33-35H,1-2H3/t34-/m1/s1
InChIKeyRFDOOXPSHPWXHP-UUWRZZSWSA-N
MW501.61 g/mol
LogP7.70
Rot. Bonds8

About N-[(R)-bis(4-methylphenyl)phosphoryl-phenylmethyl]-1,1-diphenylmethanamine

N-[(R)-bis(4-methylphenyl)phosphoryl-phenylmethyl]-1,1-diphenylmethanamine (PubChem CID 53300687) has the molecular formula C34H32NOP and a molecular weight of 501.61 g/mol. Its IUPAC name is N-[(R)-bis(4-methylphenyl)phosphoryl-phenylmethyl]-1,1-diphenylmethanamine.

Molecular Properties

Compound NameN-[(R)-bis(4-methylphenyl)phosphoryl-phenylmethyl]-1,1-diphenylmethanamine
PubChem CID53300687
Molecular FormulaC34H32NOP
Molecular Weight501.61 g/mol
Exact Mass501.22
IUPAC NameN-[(R)-bis(4-methylphenyl)phosphoryl-phenylmethyl]-1,1-diphenylmethanamine
SMILESCc1ccc(P(=O)(c2ccc(C)cc2)[C@@H](NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H32NOP/c1-26-18-22-31(23-19-26)37(36,32-24-20-27(2)21-25-32)34(30-16-10-5-11-17-30)35-33(28-12-6-3-7-13-28)29-14-8-4-9-15-29/h3-25,33-35H,1-2H3/t34-/m1/s1
InChIKeyRFDOOXPSHPWXHP-UUWRZZSWSA-N
XLogP7.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.61
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-bis(4-methylphenyl)phosphoryl-phenylmethyl]-1,1-diphenylmethanamine?
The IUPAC name of N-[(R)-bis(4-methylphenyl)phosphoryl-phenylmethyl]-1,1-diphenylmethanamine (CID 53300687) is N-[(R)-bis(4-methylphenyl)phosphoryl-phenylmethyl]-1,1-diphenylmethanamine.
What is the SMILES notation for N-[(R)-bis(4-methylphenyl)phosphoryl-phenylmethyl]-1,1-diphenylmethanamine?
The canonical SMILES for N-[(R)-bis(4-methylphenyl)phosphoryl-phenylmethyl]-1,1-diphenylmethanamine is Cc1ccc(P(=O)(c2ccc(C)cc2)[C@@H](NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(R)-bis(4-methylphenyl)phosphoryl-phenylmethyl]-1,1-diphenylmethanamine?
The InChIKey is RFDOOXPSHPWXHP-UUWRZZSWSA-N. The full InChI is InChI=1S/C34H32NOP/c1-26-18-22-31(23-19-26)37(36,32-24-20-27(2)21-25-32)34(30-16-10-5-11-17-30)35-33(28-12-6-3-7-13-28)29-14-8-4-9-15-29/h3-25,33-35H,1-2H3/t34-/m1/s1.
What are the key properties of N-[(R)-bis(4-methylphenyl)phosphoryl-phenylmethyl]-1,1-diphenylmethanamine?
N-[(R)-bis(4-methylphenyl)phosphoryl-phenylmethyl]-1,1-diphenylmethanamine has a molecular weight of 501.61 g/mol, XLogP of 7.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-bis(4-methylphenyl)phosphoryl-phenylmethyl]-1,1-diphenylmethanamine is sourced from PubChem (CID 53300687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).