[(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane

C33H32P2 — CID 101070950

IUPAC[(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane
SMILESC[C@@H](C1=C([C@H](C)P(c2ccccc2)c2ccccc2)CC=C1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H32P2/c1-26(34(28-16-7-3-8-17-28)29-18-9-4-10-19-29)32-24-15-25-33(32)27(2)35(30-20-11-5-12-21-30)31-22-13-6-14-23-31/h3-24,26-27H,25H2,1-2H3/t26-,27-/m0/s1
InChIKeyOQSTYLMNNBVWGO-SVBPBHIXSA-N
MW490.57 g/mol
LogP7.29
Rot. Bonds8

About [(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane

[(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane (PubChem CID 101070950) has the molecular formula C33H32P2 and a molecular weight of 490.57 g/mol. Its IUPAC name is [(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane.

Molecular Properties

Compound Name[(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane
PubChem CID101070950
Molecular FormulaC33H32P2
Molecular Weight490.57 g/mol
Exact Mass490.20
IUPAC Name[(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane
SMILESC[C@@H](C1=C([C@H](C)P(c2ccccc2)c2ccccc2)CC=C1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H32P2/c1-26(34(28-16-7-3-8-17-28)29-18-9-4-10-19-29)32-24-15-25-33(32)27(2)35(30-20-11-5-12-21-30)31-22-13-6-14-23-31/h3-24,26-27H,25H2,1-2H3/t26-,27-/m0/s1
InChIKeyOQSTYLMNNBVWGO-SVBPBHIXSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 57.29
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-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane
CID 70795771
ditert-butyl-[1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
CID 85432950
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
[2-[(1S)-1-methoxyethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane
CID 70880363
[(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane
CID 46216943
1-(2,3-dimethylphenyl)ethyl-diphenylphosphane
CID 174399183
[(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid
CID 118687805
1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane
CID 159086200
[2-[(1R)-1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopenta-1,4-dien-1-yl]-bis(2-propan-2-yloxyphenyl)phosphane
CID 70795829
trimethyl-[phenyl-[phenyl(trimethylphosphaniumyl)phosphanyl]phosphanyl]phosphanium
CID 139118371
1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane
CID 162105362
1-[2-(1-diphenylphosphanylethyl)cyclopentyl]ethyl-diphenylphosphane
CID 23403232

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane?
The IUPAC name of [(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane (CID 101070950) is [(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane.
What is the SMILES notation for [(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane?
The canonical SMILES for [(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane is C[C@@H](C1=C([C@H](C)P(c2ccccc2)c2ccccc2)CC=C1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane?
The InChIKey is OQSTYLMNNBVWGO-SVBPBHIXSA-N. The full InChI is InChI=1S/C33H32P2/c1-26(34(28-16-7-3-8-17-28)29-18-9-4-10-19-29)32-24-15-25-33(32)27(2)35(30-20-11-5-12-21-30)31-22-13-6-14-23-31/h3-24,26-27H,25H2,1-2H3/t26-,27-/m0/s1.
What are the key properties of [(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane?
[(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane has a molecular weight of 490.57 g/mol, XLogP of 7.29, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane is sourced from PubChem (CID 101070950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).