dicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane

C31H40P2 — CID 70795771

IUPACdicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane
SMILESC[C@H](C1=C(P(C2CCCCC2)C2CCCCC2)C=CC1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H40P2/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29/h2-3,6-9,14-18,24-25,28-29H,4-5,10-13,19-23H2,1H3/t25-/m1/s1
InChIKeyCOOHKRRYOSYZIL-RUZDIDTESA-N
MW474.61 g/mol
LogP8.87
Rot. Bonds7

About dicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane

dicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane (PubChem CID 70795771) has the molecular formula C31H40P2 and a molecular weight of 474.61 g/mol. Its IUPAC name is dicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane
PubChem CID70795771
Molecular FormulaC31H40P2
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Namedicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane
SMILESC[C@H](C1=C(P(C2CCCCC2)C2CCCCC2)C=CC1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H40P2/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29/h2-3,6-9,14-18,24-25,28-29H,4-5,10-13,19-23H2,1H3/t25-/m1/s1
InChIKeyCOOHKRRYOSYZIL-RUZDIDTESA-N
XLogP8.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane with MolForge

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Related Compounds

[(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane
CID 101070950
(R)-1-[(SP)-2-(Dicyclohexylphosphino)ferrocenylethyl]diphenylphosphine
CID 146157439
cyclopenta-1,3-diene;dicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]phosphane;iron(2+)
CID 50898068
ditert-butyl-[1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
CID 85432950
bis(dicyclohexyl(phenyl)phosphane);dihydrobromide
CID 173326608
dicyclohexyl-[2-(diphenylphosphanylmethyl)cyclopenta-1,3-dien-1-yl]phosphane
CID 102163658
1-[2-(1-diphenylphosphanylethyl)cyclopentyl]ethyl-diphenylphosphane
CID 23403232
cyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron
CID 155887361
acetic acid;dicyclohexyl(phenyl)phosphane
CID 172794555
dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopenta-1,4-dien-1-yl]ethyl]phosphane
CID 102460393
carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+))
CID 162295221
tris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate
CID 57357504

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane?
The IUPAC name of dicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane (CID 70795771) is dicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane.
What is the SMILES notation for dicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane?
The canonical SMILES for dicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane is C[C@H](C1=C(P(C2CCCCC2)C2CCCCC2)C=CC1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of dicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane?
The InChIKey is COOHKRRYOSYZIL-RUZDIDTESA-N. The full InChI is InChI=1S/C31H40P2/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29/h2-3,6-9,14-18,24-25,28-29H,4-5,10-13,19-23H2,1H3/t25-/m1/s1.
What are the key properties of dicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane?
dicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane has a molecular weight of 474.61 g/mol, XLogP of 8.87, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane is sourced from PubChem (CID 70795771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).