[(1R)-1-[2-[2-[bis(furan-2-yl)phosphanyl]phenyl]cyclopenta-1,3-dien-1-yl]ethyl]-dicyclohexylphosphane

C33H40O2P2 — CID 102026368

IUPAC[(1R)-1-[2-[2-[bis(furan-2-yl)phosphanyl]phenyl]cyclopenta-1,3-dien-1-yl]ethyl]-dicyclohexylphosphane
SMILESC[C@H](C1=C(c2ccccc2P(c2ccco2)c2ccco2)C=CC1)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C33H40O2P2/c1-25(36(26-13-4-2-5-14-26)27-15-6-3-7-16-27)28-18-10-19-29(28)30-17-8-9-20-31(30)37(32-21-11-23-34-32)33-22-12-24-35-33/h8-12,17,19-27H,2-7,13-16,18H2,1H3/t25-/m1/s1
InChIKeyBLLJIEDORLKFQP-RUZDIDTESA-N
MW530.63 g/mol
LogP8.88
Rot. Bonds8

About [(1R)-1-[2-[2-[bis(furan-2-yl)phosphanyl]phenyl]cyclopenta-1,3-dien-1-yl]ethyl]-dicyclohexylphosphane

[(1R)-1-[2-[2-[bis(furan-2-yl)phosphanyl]phenyl]cyclopenta-1,3-dien-1-yl]ethyl]-dicyclohexylphosphane (PubChem CID 102026368) has the molecular formula C33H40O2P2 and a molecular weight of 530.63 g/mol. Its IUPAC name is [(1R)-1-[2-[2-[bis(furan-2-yl)phosphanyl]phenyl]cyclopenta-1,3-dien-1-yl]ethyl]-dicyclohexylphosphane.

Molecular Properties

Compound Name[(1R)-1-[2-[2-[bis(furan-2-yl)phosphanyl]phenyl]cyclopenta-1,3-dien-1-yl]ethyl]-dicyclohexylphosphane
PubChem CID102026368
Molecular FormulaC33H40O2P2
Molecular Weight530.63 g/mol
Exact Mass530.25
IUPAC Name[(1R)-1-[2-[2-[bis(furan-2-yl)phosphanyl]phenyl]cyclopenta-1,3-dien-1-yl]ethyl]-dicyclohexylphosphane
SMILESC[C@H](C1=C(c2ccccc2P(c2ccco2)c2ccco2)C=CC1)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C33H40O2P2/c1-25(36(26-13-4-2-5-14-26)27-15-6-3-7-16-27)28-18-10-19-29(28)30-17-8-9-20-31(30)37(32-21-11-23-34-32)33-22-12-24-35-33/h8-12,17,19-27H,2-7,13-16,18H2,1H3/t25-/m1/s1
InChIKeyBLLJIEDORLKFQP-RUZDIDTESA-N
XLogP8.88
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.63
LogP ≤ 58.88
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

dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopenta-1,4-dien-1-yl]ethyl]phosphane
CID 102460393
dicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane
CID 70795771
2-(2-dicyclohexylphosphanylphenyl)phenol
CID 7015412
dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane
CID 121225630
disodium;hydride;tris(furan-2-yl)phosphane
CID 173122034
CID 91844908
CID 91844908
cyclopentyl(dimethyl)phosphane;dimethyl-(2-propan-2-ylphenyl)phosphane;ethane
CID 91270431
carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+)
CID 155819532
dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane
CID 70670127
triphenylphosphane;tris(furan-2-yl)phosphane
CID 87666733
dicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 138962255
azane;dicyclohexyl-(2-phenylphenyl)phosphane
CID 86613582

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[2-[2-[bis(furan-2-yl)phosphanyl]phenyl]cyclopenta-1,3-dien-1-yl]ethyl]-dicyclohexylphosphane?
The IUPAC name of [(1R)-1-[2-[2-[bis(furan-2-yl)phosphanyl]phenyl]cyclopenta-1,3-dien-1-yl]ethyl]-dicyclohexylphosphane (CID 102026368) is [(1R)-1-[2-[2-[bis(furan-2-yl)phosphanyl]phenyl]cyclopenta-1,3-dien-1-yl]ethyl]-dicyclohexylphosphane.
What is the SMILES notation for [(1R)-1-[2-[2-[bis(furan-2-yl)phosphanyl]phenyl]cyclopenta-1,3-dien-1-yl]ethyl]-dicyclohexylphosphane?
The canonical SMILES for [(1R)-1-[2-[2-[bis(furan-2-yl)phosphanyl]phenyl]cyclopenta-1,3-dien-1-yl]ethyl]-dicyclohexylphosphane is C[C@H](C1=C(c2ccccc2P(c2ccco2)c2ccco2)C=CC1)P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of [(1R)-1-[2-[2-[bis(furan-2-yl)phosphanyl]phenyl]cyclopenta-1,3-dien-1-yl]ethyl]-dicyclohexylphosphane?
The InChIKey is BLLJIEDORLKFQP-RUZDIDTESA-N. The full InChI is InChI=1S/C33H40O2P2/c1-25(36(26-13-4-2-5-14-26)27-15-6-3-7-16-27)28-18-10-19-29(28)30-17-8-9-20-31(30)37(32-21-11-23-34-32)33-22-12-24-35-33/h8-12,17,19-27H,2-7,13-16,18H2,1H3/t25-/m1/s1.
What are the key properties of [(1R)-1-[2-[2-[bis(furan-2-yl)phosphanyl]phenyl]cyclopenta-1,3-dien-1-yl]ethyl]-dicyclohexylphosphane?
[(1R)-1-[2-[2-[bis(furan-2-yl)phosphanyl]phenyl]cyclopenta-1,3-dien-1-yl]ethyl]-dicyclohexylphosphane has a molecular weight of 530.63 g/mol, XLogP of 8.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[2-[2-[bis(furan-2-yl)phosphanyl]phenyl]cyclopenta-1,3-dien-1-yl]ethyl]-dicyclohexylphosphane is sourced from PubChem (CID 102026368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).