N-diphenylphosphanyl-N-[phenoxy(phenyl)phosphanyl]cyclohexanamine

C30H31NOP2 — CID 122391114

IUPACN-diphenylphosphanyl-N-[phenoxy(phenyl)phosphanyl]cyclohexanamine
SMILESc1ccc(OP(c2ccccc2)N(C2CCCCC2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H31NOP2/c1-6-16-26(17-7-1)31(33(28-20-10-3-11-21-28)29-22-12-4-13-23-29)34(30-24-14-5-15-25-30)32-27-18-8-2-9-19-27/h2-5,8-15,18-26H,1,6-7,16-17H2
InChIKeyTUKKRBGMEAVXNT-UHFFFAOYSA-N
MW483.53 g/mol
LogP7.39
Rot. Bonds8

About N-diphenylphosphanyl-N-[phenoxy(phenyl)phosphanyl]cyclohexanamine

N-diphenylphosphanyl-N-[phenoxy(phenyl)phosphanyl]cyclohexanamine (PubChem CID 122391114) has the molecular formula C30H31NOP2 and a molecular weight of 483.53 g/mol. Its IUPAC name is N-diphenylphosphanyl-N-[phenoxy(phenyl)phosphanyl]cyclohexanamine.

Molecular Properties

Compound NameN-diphenylphosphanyl-N-[phenoxy(phenyl)phosphanyl]cyclohexanamine
PubChem CID122391114
Molecular FormulaC30H31NOP2
Molecular Weight483.53 g/mol
Exact Mass483.19
IUPAC NameN-diphenylphosphanyl-N-[phenoxy(phenyl)phosphanyl]cyclohexanamine
SMILESc1ccc(OP(c2ccccc2)N(C2CCCCC2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H31NOP2/c1-6-16-26(17-7-1)31(33(28-20-10-3-11-21-28)29-22-12-4-13-23-29)34(30-24-14-5-15-25-30)32-27-18-8-2-9-19-27/h2-5,8-15,18-26H,1,6-7,16-17H2
InChIKeyTUKKRBGMEAVXNT-UHFFFAOYSA-N
XLogP7.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.53
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,4-N,4-N-tetrakis(diphenylphosphanyl)cyclohexane-1,4-diamine
CID 118617411
N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine
CID 21317865
phenyl N-cyclohexyl-N-phenoxysulfonylsulfamate
CID 56986396
cis-(1R,2S)-N,N-bis(diphenylphosphanyl)-2-(2-methylcyclohexyl)cyclohexan-1-amine
CID 129073733
2-[2-[bis(diphenylphosphanyl)amino]cyclohexyl]-N-diphenylphosphanyl-N-methylcyclohexan-1-amine
CID 121308688
magnesium;cyclohexyloxybenzene;hydride
CID 174438663
phenoxy(diphenyl)phosphane
CID 11543680
cyclononyl(diphenyl)phosphane
CID 70908257
(2S,5S)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine
CID 138466221
1-cyclohexyloxy-4-phenoxybenzene
CID 70600234
bis(dicyclohexyl(phenyl)phosphane);dihydrobromide
CID 173326608
N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylcyclooctanamine
CID 171491210

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphanyl-N-[phenoxy(phenyl)phosphanyl]cyclohexanamine?
The IUPAC name of N-diphenylphosphanyl-N-[phenoxy(phenyl)phosphanyl]cyclohexanamine (CID 122391114) is N-diphenylphosphanyl-N-[phenoxy(phenyl)phosphanyl]cyclohexanamine.
What is the SMILES notation for N-diphenylphosphanyl-N-[phenoxy(phenyl)phosphanyl]cyclohexanamine?
The canonical SMILES for N-diphenylphosphanyl-N-[phenoxy(phenyl)phosphanyl]cyclohexanamine is c1ccc(OP(c2ccccc2)N(C2CCCCC2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-diphenylphosphanyl-N-[phenoxy(phenyl)phosphanyl]cyclohexanamine?
The InChIKey is TUKKRBGMEAVXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NOP2/c1-6-16-26(17-7-1)31(33(28-20-10-3-11-21-28)29-22-12-4-13-23-29)34(30-24-14-5-15-25-30)32-27-18-8-2-9-19-27/h2-5,8-15,18-26H,1,6-7,16-17H2.
What are the key properties of N-diphenylphosphanyl-N-[phenoxy(phenyl)phosphanyl]cyclohexanamine?
N-diphenylphosphanyl-N-[phenoxy(phenyl)phosphanyl]cyclohexanamine has a molecular weight of 483.53 g/mol, XLogP of 7.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphanyl-N-[phenoxy(phenyl)phosphanyl]cyclohexanamine is sourced from PubChem (CID 122391114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).