[4-[2-(4-diphenylphosphanylphenyl)cyclohexyl]phenyl]-diphenylphosphane

C42H38P2 — CID 159402940

IUPAC[4-[2-(4-diphenylphosphanylphenyl)cyclohexyl]phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc(C3CCCCC3c3ccc(P(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C42H38P2/c1-5-15-35(16-6-1)43(36-17-7-2-8-18-36)39-29-25-33(26-30-39)41-23-13-14-24-42(41)34-27-31-40(32-28-34)44(37-19-9-3-10-20-37)38-21-11-4-12-22-38/h1-12,15-22,25-32,41-42H,13-14,23-24H2
InChIKeyLNOUQAYENDZKNP-UHFFFAOYSA-N
MW604.71 g/mol
LogP8.64
Rot. Bonds8

About [4-[2-(4-diphenylphosphanylphenyl)cyclohexyl]phenyl]-diphenylphosphane

[4-[2-(4-diphenylphosphanylphenyl)cyclohexyl]phenyl]-diphenylphosphane (PubChem CID 159402940) has the molecular formula C42H38P2 and a molecular weight of 604.71 g/mol. Its IUPAC name is [4-[2-(4-diphenylphosphanylphenyl)cyclohexyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[4-[2-(4-diphenylphosphanylphenyl)cyclohexyl]phenyl]-diphenylphosphane
PubChem CID159402940
Molecular FormulaC42H38P2
Molecular Weight604.71 g/mol
Exact Mass604.24
IUPAC Name[4-[2-(4-diphenylphosphanylphenyl)cyclohexyl]phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc(C3CCCCC3c3ccc(P(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C42H38P2/c1-5-15-35(16-6-1)43(36-17-7-2-8-18-36)39-29-25-33(26-30-39)41-23-13-14-24-42(41)34-27-31-40(32-28-34)44(37-19-9-3-10-20-37)38-21-11-4-12-22-38/h1-12,15-22,25-32,41-42H,13-14,23-24H2
InChIKeyLNOUQAYENDZKNP-UHFFFAOYSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.71
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chlororuthenium;1-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(triphenylphosphane)
CID 171369681
[4-[(4R)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane
CID 88878262
[4-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane
CID 101233300
triphenylphosphane
CID 139056248
phenyl-bis(2-phenylcyclopentyl)phosphane
CID 59045177
chloromethylcyclohexane;triphenylphosphane
CID 87799022
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
copper monohydride;hexakis(triphenylphosphane)
CID 134992255

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-diphenylphosphanylphenyl)cyclohexyl]phenyl]-diphenylphosphane?
The IUPAC name of [4-[2-(4-diphenylphosphanylphenyl)cyclohexyl]phenyl]-diphenylphosphane (CID 159402940) is [4-[2-(4-diphenylphosphanylphenyl)cyclohexyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [4-[2-(4-diphenylphosphanylphenyl)cyclohexyl]phenyl]-diphenylphosphane?
The canonical SMILES for [4-[2-(4-diphenylphosphanylphenyl)cyclohexyl]phenyl]-diphenylphosphane is c1ccc(P(c2ccccc2)c2ccc(C3CCCCC3c3ccc(P(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of [4-[2-(4-diphenylphosphanylphenyl)cyclohexyl]phenyl]-diphenylphosphane?
The InChIKey is LNOUQAYENDZKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38P2/c1-5-15-35(16-6-1)43(36-17-7-2-8-18-36)39-29-25-33(26-30-39)41-23-13-14-24-42(41)34-27-31-40(32-28-34)44(37-19-9-3-10-20-37)38-21-11-4-12-22-38/h1-12,15-22,25-32,41-42H,13-14,23-24H2.
What are the key properties of [4-[2-(4-diphenylphosphanylphenyl)cyclohexyl]phenyl]-diphenylphosphane?
[4-[2-(4-diphenylphosphanylphenyl)cyclohexyl]phenyl]-diphenylphosphane has a molecular weight of 604.71 g/mol, XLogP of 8.64, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-diphenylphosphanylphenyl)cyclohexyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 159402940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).