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

C37H44P2 — CID 102460393

IUPACdicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopenta-1,4-dien-1-yl]ethyl]phosphane
SMILESC[C@H](C1=C(c2ccccc2P(c2ccccc2)c2ccccc2)CC=C1)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C37H44P2/c1-29(38(30-17-6-2-7-18-30)31-19-8-3-9-20-31)34-26-16-27-35(34)36-25-14-15-28-37(36)39(32-21-10-4-11-22-32)33-23-12-5-13-24-33/h4-5,10-16,21-26,28-31H,2-3,6-9,17-20,27H2,1H3/t29-/m1/s1
InChIKeyZDSAPAXXXRILCE-GDLZYMKVSA-N
MW550.71 g/mol
LogP9.69
Rot. Bonds8

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

dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopenta-1,4-dien-1-yl]ethyl]phosphane (PubChem CID 102460393) has the molecular formula C37H44P2 and a molecular weight of 550.71 g/mol. Its IUPAC name is dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopenta-1,4-dien-1-yl]ethyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopenta-1,4-dien-1-yl]ethyl]phosphane
PubChem CID102460393
Molecular FormulaC37H44P2
Molecular Weight550.71 g/mol
Exact Mass550.29
IUPAC Namedicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopenta-1,4-dien-1-yl]ethyl]phosphane
SMILESC[C@H](C1=C(c2ccccc2P(c2ccccc2)c2ccccc2)CC=C1)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C37H44P2/c1-29(38(30-17-6-2-7-18-30)31-19-8-3-9-20-31)34-26-16-27-35(34)36-25-14-15-28-37(36)39(32-21-10-4-11-22-32)33-23-12-5-13-24-33/h4-5,10-16,21-26,28-31H,2-3,6-9,17-20,27H2,1H3/t29-/m1/s1
InChIKeyZDSAPAXXXRILCE-GDLZYMKVSA-N
XLogP9.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.71
LogP ≤ 59.69
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

[(1R)-1-[2-[2-[bis(furan-2-yl)phosphanyl]phenyl]cyclopenta-1,3-dien-1-yl]ethyl]-dicyclohexylphosphane
CID 102026368
CID 91844908
CID 91844908
carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+)
CID 155819532
dicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 138962255
dicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane
CID 70795771
dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 15302428
(2S)-1-[(1S)-1-(DICYCLOHEXYLPHOSPHINO)ETHYL]-2-(DIPHENYLPHOSPHINO)FERROCENE
CID 166639520
bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
CID 87203660
[2-[2-(2-methylphenyl)phenyl]phenyl]-diphenylphosphane
CID 142046194
cyclopentane;dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane;iron
CID 87113937
dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 129406680
dicyclohexyl-[1-[(2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 121477932

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopenta-1,4-dien-1-yl]ethyl]phosphane?
The IUPAC name of dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopenta-1,4-dien-1-yl]ethyl]phosphane (CID 102460393) is dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopenta-1,4-dien-1-yl]ethyl]phosphane.
What is the SMILES notation for dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopenta-1,4-dien-1-yl]ethyl]phosphane?
The canonical SMILES for dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopenta-1,4-dien-1-yl]ethyl]phosphane is C[C@H](C1=C(c2ccccc2P(c2ccccc2)c2ccccc2)CC=C1)P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopenta-1,4-dien-1-yl]ethyl]phosphane?
The InChIKey is ZDSAPAXXXRILCE-GDLZYMKVSA-N. The full InChI is InChI=1S/C37H44P2/c1-29(38(30-17-6-2-7-18-30)31-19-8-3-9-20-31)34-26-16-27-35(34)36-25-14-15-28-37(36)39(32-21-10-4-11-22-32)33-23-12-5-13-24-33/h4-5,10-16,21-26,28-31H,2-3,6-9,17-20,27H2,1H3/t29-/m1/s1.
What are the key properties of dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopenta-1,4-dien-1-yl]ethyl]phosphane?
dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopenta-1,4-dien-1-yl]ethyl]phosphane has a molecular weight of 550.71 g/mol, XLogP of 9.69, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopenta-1,4-dien-1-yl]ethyl]phosphane is sourced from PubChem (CID 102460393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).