[(1R)-5-cyclopenta-1,3-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane

C39H38P2 — CID 138962112

IUPAC[(1R)-5-cyclopenta-1,3-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane
SMILESC1=CCC(CCCC[C@H](C2C=CC=C2P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C39H38P2/c1-5-21-33(22-6-1)40(34-23-7-2-8-24-34)38(30-16-15-20-32-18-13-14-19-32)37-29-17-31-39(37)41(35-25-9-3-10-26-35)36-27-11-4-12-28-36/h1-14,17-18,21-29,31,37-38H,15-16,19-20,30H2/t37?,38-/m1/s1
InChIKeyZLTQTKNRPHRHGO-YWIOZPJLSA-N
MW568.68 g/mol
LogP9.14
Rot. Bonds12

About [(1R)-5-cyclopenta-1,3-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane

[(1R)-5-cyclopenta-1,3-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane (PubChem CID 138962112) has the molecular formula C39H38P2 and a molecular weight of 568.68 g/mol. Its IUPAC name is [(1R)-5-cyclopenta-1,3-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane.

Molecular Properties

Compound Name[(1R)-5-cyclopenta-1,3-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane
PubChem CID138962112
Molecular FormulaC39H38P2
Molecular Weight568.68 g/mol
Exact Mass568.24
IUPAC Name[(1R)-5-cyclopenta-1,3-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane
SMILESC1=CCC(CCCC[C@H](C2C=CC=C2P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C39H38P2/c1-5-21-33(22-6-1)40(34-23-7-2-8-24-34)38(30-16-15-20-32-18-13-14-19-32)37-29-17-31-39(37)41(35-25-9-3-10-26-35)36-27-11-4-12-28-36/h1-14,17-18,21-29,31,37-38H,15-16,19-20,30H2/t37?,38-/m1/s1
InChIKeyZLTQTKNRPHRHGO-YWIOZPJLSA-N
XLogP9.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.68
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-5-cyclopenta-2,4-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane
CID 102041384
dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 15302428
(1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine
CID 87789367
(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine
CID 87708719
(5-fluorocyclopenta-1,3-dien-1-yl)-diphenylphosphane
CID 176541891
1-(2-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene
CID 12744927
[bromo(fluoro)methyl]benzene;1-butylcyclopenta-1,3-diene
CID 175291492
(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl-diphenylphosphane
CID 16691563
N-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]-N-propylpropan-1-amine
CID 101163707
(1R)-N-bis(3,4-difluorophenyl)phosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-methylethanamine
CID 87794428
[5-(ethoxymethyl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane
CID 176546157
(1R)-N-[[2-bis(3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]-[2-bis(3,5-dimethylphenyl)phosphanylphenyl]methyl]-N-methyl-1-phenylethanamine
CID 101163703

Frequently Asked Questions

What is the IUPAC name of [(1R)-5-cyclopenta-1,3-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane?
The IUPAC name of [(1R)-5-cyclopenta-1,3-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane (CID 138962112) is [(1R)-5-cyclopenta-1,3-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane.
What is the SMILES notation for [(1R)-5-cyclopenta-1,3-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane?
The canonical SMILES for [(1R)-5-cyclopenta-1,3-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane is C1=CCC(CCCC[C@H](C2C=CC=C2P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)=C1.
What is the InChIKey of [(1R)-5-cyclopenta-1,3-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane?
The InChIKey is ZLTQTKNRPHRHGO-YWIOZPJLSA-N. The full InChI is InChI=1S/C39H38P2/c1-5-21-33(22-6-1)40(34-23-7-2-8-24-34)38(30-16-15-20-32-18-13-14-19-32)37-29-17-31-39(37)41(35-25-9-3-10-26-35)36-27-11-4-12-28-36/h1-14,17-18,21-29,31,37-38H,15-16,19-20,30H2/t37?,38-/m1/s1.
What are the key properties of [(1R)-5-cyclopenta-1,3-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane?
[(1R)-5-cyclopenta-1,3-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane has a molecular weight of 568.68 g/mol, XLogP of 9.14, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-5-cyclopenta-1,3-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane is sourced from PubChem (CID 138962112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).