CID 58921864

C32H32OP2 — CID 58921864

IUPAC—
SMILES[CH]P(c1ccccc1)C1CCCC1[C@@H](OC)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32OP2/c1-33-32(28-22-14-24-30(28)34(2)25-15-6-3-7-16-25)29-21-12-13-23-31(29)35(26-17-8-4-9-18-26)27-19-10-5-11-20-27/h2-13,15-21,23,28,30,32H,14,22,24H2,1H3/t28?,30?,32-,34?/m1/s1
InChIKeyXIIUCYKUTBJIMB-OZGMUZPMSA-N
MW494.56 g/mol
LogP6.78
Rot. Bonds8

About CID 58921864

CID 58921864 (PubChem CID 58921864) has the molecular formula C32H32OP2 and a molecular weight of 494.56 g/mol.

Molecular Properties

Compound NameCID 58921864
PubChem CID58921864
Molecular FormulaC32H32OP2
Molecular Weight494.56 g/mol
Exact Mass494.19
IUPAC Name—
SMILES[CH]P(c1ccccc1)C1CCCC1[C@@H](OC)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32OP2/c1-33-32(28-22-14-24-30(28)34(2)25-15-6-3-7-16-25)29-21-12-13-23-31(29)35(26-17-8-4-9-18-26)27-19-10-5-11-20-27/h2-13,15-21,23,28,30,32H,14,22,24H2,1H3/t28?,30?,32-,34?/m1/s1
InChIKeyXIIUCYKUTBJIMB-OZGMUZPMSA-N
XLogP6.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.56
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(1S)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenyl]-N,N-dimethylmethanamine
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(S)-amino-(2-diphenylphosphanylphenyl)methanol
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cyclopentane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane
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[2-[(1R)-1-(2-bromophenyl)ethyl]cyclopentyl]-diphenylphosphane
CID 58903797
[(1S)-1-[(1R,2R)-2-diphenylphosphanylcyclopentyl]ethyl]-diphenylphosphane
CID 141093024
(1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine
CID 90131117
[2-[(1S,2R)-2-diphenylphosphanylcyclopentyl]phenyl]-diphenylphosphane
CID 101125838
dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 129406680
dicyclohexyl-[1-[(2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 121477932
[2-[(1S)-1-(2-dimethylphosphanylcyclopentyl)ethyl]phenyl]-dimethylphosphane
CID 59893964

Frequently Asked Questions

What is the IUPAC name of CID 58921864?
The IUPAC name of CID 58921864 (CID 58921864) is not available.
What is the SMILES notation for CID 58921864?
The canonical SMILES for CID 58921864 is [CH]P(c1ccccc1)C1CCCC1[C@@H](OC)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 58921864?
The InChIKey is XIIUCYKUTBJIMB-OZGMUZPMSA-N. The full InChI is InChI=1S/C32H32OP2/c1-33-32(28-22-14-24-30(28)34(2)25-15-6-3-7-16-25)29-21-12-13-23-31(29)35(26-17-8-4-9-18-26)27-19-10-5-11-20-27/h2-13,15-21,23,28,30,32H,14,22,24H2,1H3/t28?,30?,32-,34?/m1/s1.
What are the key properties of CID 58921864?
CID 58921864 has a molecular weight of 494.56 g/mol, XLogP of 6.78, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58921864 is sourced from PubChem (CID 58921864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).