bis(2-methylpentan-2-yl)-(3-phenylphenyl)phosphane

C24H35P — CID 57461581

IUPACbis(2-methylpentan-2-yl)-(3-phenylphenyl)phosphane
SMILESCCCC(C)(C)P(c1cccc(-c2ccccc2)c1)C(C)(C)CCC
InChIInChI=1S/C24H35P/c1-7-17-23(3,4)25(24(5,6)18-8-2)22-16-12-15-21(19-22)20-13-10-9-11-14-20/h9-16,19H,7-8,17-18H2,1-6H3
InChIKeyKXWQAPTWPDNVSW-UHFFFAOYSA-N
MW354.52 g/mol
LogP7.62
Rot. Bonds8

About bis(2-methylpentan-2-yl)-(3-phenylphenyl)phosphane

bis(2-methylpentan-2-yl)-(3-phenylphenyl)phosphane (PubChem CID 57461581) has the molecular formula C24H35P and a molecular weight of 354.52 g/mol. Its IUPAC name is bis(2-methylpentan-2-yl)-(3-phenylphenyl)phosphane.

Molecular Properties

Compound Namebis(2-methylpentan-2-yl)-(3-phenylphenyl)phosphane
PubChem CID57461581
Molecular FormulaC24H35P
Molecular Weight354.52 g/mol
Exact Mass354.25
IUPAC Namebis(2-methylpentan-2-yl)-(3-phenylphenyl)phosphane
SMILESCCCC(C)(C)P(c1cccc(-c2ccccc2)c1)C(C)(C)CCC
InChIInChI=1S/C24H35P/c1-7-17-23(3,4)25(24(5,6)18-8-2)22-16-12-15-21(19-22)20-13-10-9-11-14-20/h9-16,19H,7-8,17-18H2,1-6H3
InChIKeyKXWQAPTWPDNVSW-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.52
LogP ≤ 57.62
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

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CID 21301209
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CID 87259750
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CID 155168826
bis(1,3-diphenylbenzene);ethane
CID 144938975
1-phenyl-3-propylbenzene
CID 4110465
2,2-dimethylhexyl(diphenyl)phosphane
CID 143507399
4-methyl-1-phenylheptan-4-ol
CID 67874665
(1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane
CID 87672181
1,3-diphenylbenzene;ethane;methane
CID 171489435
2-diphenylphosphanyl-2-methylpentanoic acid
CID 174669720
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpentan-2-yl)-(3-phenylphenyl)phosphane?
The IUPAC name of bis(2-methylpentan-2-yl)-(3-phenylphenyl)phosphane (CID 57461581) is bis(2-methylpentan-2-yl)-(3-phenylphenyl)phosphane.
What is the SMILES notation for bis(2-methylpentan-2-yl)-(3-phenylphenyl)phosphane?
The canonical SMILES for bis(2-methylpentan-2-yl)-(3-phenylphenyl)phosphane is CCCC(C)(C)P(c1cccc(-c2ccccc2)c1)C(C)(C)CCC.
What is the InChIKey of bis(2-methylpentan-2-yl)-(3-phenylphenyl)phosphane?
The InChIKey is KXWQAPTWPDNVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35P/c1-7-17-23(3,4)25(24(5,6)18-8-2)22-16-12-15-21(19-22)20-13-10-9-11-14-20/h9-16,19H,7-8,17-18H2,1-6H3.
What are the key properties of bis(2-methylpentan-2-yl)-(3-phenylphenyl)phosphane?
bis(2-methylpentan-2-yl)-(3-phenylphenyl)phosphane has a molecular weight of 354.52 g/mol, XLogP of 7.62, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpentan-2-yl)-(3-phenylphenyl)phosphane is sourced from PubChem (CID 57461581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).