dicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane

C32H42P2 — CID 138962255

IUPACdicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
SMILESCC1=C(P(c2ccccc2)c2ccccc2)C([C@@H](C)P(C2CCCCC2)C2CCCCC2)C=C1
InChIInChI=1S/C32H42P2/c1-25-23-24-31(26(2)33(27-15-7-3-8-16-27)28-17-9-4-10-18-28)32(25)34(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h5-6,11-14,19-24,26-28,31H,3-4,7-10,15-18H2,1-2H3/t26-,31?/m1/s1
InChIKeyOZEXNSIDHGRFKI-SYQKMTEESA-N
MW488.64 g/mol
LogP9.12
Rot. Bonds7

About dicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane

dicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane (PubChem CID 138962255) has the molecular formula C32H42P2 and a molecular weight of 488.64 g/mol. Its IUPAC name is dicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
PubChem CID138962255
Molecular FormulaC32H42P2
Molecular Weight488.64 g/mol
Exact Mass488.28
IUPAC Namedicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
SMILESCC1=C(P(c2ccccc2)c2ccccc2)C([C@@H](C)P(C2CCCCC2)C2CCCCC2)C=C1
InChIInChI=1S/C32H42P2/c1-25-23-24-31(26(2)33(27-15-7-3-8-16-27)28-17-9-4-10-18-28)32(25)34(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h5-6,11-14,19-24,26-28,31H,3-4,7-10,15-18H2,1-2H3/t26-,31?/m1/s1
InChIKeyOZEXNSIDHGRFKI-SYQKMTEESA-N
XLogP9.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.64
LogP ≤ 59.12
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

dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 15302428
dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 129406680
dicyclohexyl-[1-[(2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 121477932
carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+)
CID 155819532
CID 91844908
CID 91844908
dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopenta-1,4-dien-1-yl]ethyl]phosphane
CID 102460393
cyclopentane;dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane;iron
CID 87113937
cyclononyl(diphenyl)phosphane
CID 70908257
carbon monoxide;chromium;(R)-cyclohexyl-methyl-phenylphosphane
CID 134976520
bis(dicyclohexyl(phenyl)phosphane);dihydrobromide
CID 173326608
(2S)-1-[(1S)-1-(DICYCLOHEXYLPHOSPHINO)ETHYL]-2-(DIPHENYLPHOSPHINO)FERROCENE
CID 166639520
cyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron
CID 155887361

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
The IUPAC name of dicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane (CID 138962255) is dicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane.
What is the SMILES notation for dicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
The canonical SMILES for dicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane is CC1=C(P(c2ccccc2)c2ccccc2)C([C@@H](C)P(C2CCCCC2)C2CCCCC2)C=C1.
What is the InChIKey of dicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
The InChIKey is OZEXNSIDHGRFKI-SYQKMTEESA-N. The full InChI is InChI=1S/C32H42P2/c1-25-23-24-31(26(2)33(27-15-7-3-8-16-27)28-17-9-4-10-18-28)32(25)34(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h5-6,11-14,19-24,26-28,31H,3-4,7-10,15-18H2,1-2H3/t26-,31?/m1/s1.
What are the key properties of dicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
dicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane has a molecular weight of 488.64 g/mol, XLogP of 9.12, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane is sourced from PubChem (CID 138962255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).