ditert-butyl-[[2-(2-diphenylphosphanylphenyl)cyclopentyl]methyl]phosphane

C32H42P2 — CID 137471998

IUPACditert-butyl-[[2-(2-diphenylphosphanylphenyl)cyclopentyl]methyl]phosphane
SMILESCC(C)(C)P(CC1CCCC1c1ccccc1P(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H42P2/c1-31(2,3)33(32(4,5)6)24-25-16-15-22-28(25)29-21-13-14-23-30(29)34(26-17-9-7-10-18-26)27-19-11-8-12-20-27/h7-14,17-21,23,25,28H,15-16,22,24H2,1-6H3
InChIKeyPAGQBSOGJIIUJM-UHFFFAOYSA-N
MW488.64 g/mol
LogP8.41
Rot. Bonds6

About ditert-butyl-[[2-(2-diphenylphosphanylphenyl)cyclopentyl]methyl]phosphane

ditert-butyl-[[2-(2-diphenylphosphanylphenyl)cyclopentyl]methyl]phosphane (PubChem CID 137471998) has the molecular formula C32H42P2 and a molecular weight of 488.64 g/mol. Its IUPAC name is ditert-butyl-[[2-(2-diphenylphosphanylphenyl)cyclopentyl]methyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[[2-(2-diphenylphosphanylphenyl)cyclopentyl]methyl]phosphane
PubChem CID137471998
Molecular FormulaC32H42P2
Molecular Weight488.64 g/mol
Exact Mass488.28
IUPAC Nameditert-butyl-[[2-(2-diphenylphosphanylphenyl)cyclopentyl]methyl]phosphane
SMILESCC(C)(C)P(CC1CCCC1c1ccccc1P(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H42P2/c1-31(2,3)33(32(4,5)6)24-25-16-15-22-28(25)29-21-13-14-23-30(29)34(26-17-9-7-10-18-26)27-19-11-8-12-20-27/h7-14,17-21,23,25,28H,15-16,22,24H2,1-6H3
InChIKeyPAGQBSOGJIIUJM-UHFFFAOYSA-N
XLogP8.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.64
LogP ≤ 58.41
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

[2-[(2S)-3-butyl-2-methylcyclohexyl]phenyl]-diphenylphosphane
CID 129046215
[2-[(1S,2R)-2-diphenylphosphanylcyclopentyl]phenyl]-diphenylphosphane
CID 101125838
carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+)
CID 155819532
bis[3,5-bis(trifluoromethyl)phenyl]-[1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;cyclopentane;iron
CID 155886280
[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane
CID 98462259
[2-(1-methylpyrrolidin-2-yl)phenyl]-diphenylphosphane
CID 90267040
bis[3,5-bis(trifluoromethyl)phenyl]-[[2-(2-dicyclohexylphosphanylphenyl)cyclopentyl]methyl]phosphane
CID 90921653
ditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylcyclohexyl]methyl]phosphane
CID 135305318
[2-[(2S,3aR,7aR)-3-tert-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzoxazol-2-yl]phenyl]-diphenylphosphane;carbon monoxide;chromium
CID 11071956
2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine
CID 81028338
N-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81023958
[2-(9-borabicyclo[3.3.1]nonan-9-yl)phenyl]-diphenylphosphane
CID 122389863

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[[2-(2-diphenylphosphanylphenyl)cyclopentyl]methyl]phosphane?
The IUPAC name of ditert-butyl-[[2-(2-diphenylphosphanylphenyl)cyclopentyl]methyl]phosphane (CID 137471998) is ditert-butyl-[[2-(2-diphenylphosphanylphenyl)cyclopentyl]methyl]phosphane.
What is the SMILES notation for ditert-butyl-[[2-(2-diphenylphosphanylphenyl)cyclopentyl]methyl]phosphane?
The canonical SMILES for ditert-butyl-[[2-(2-diphenylphosphanylphenyl)cyclopentyl]methyl]phosphane is CC(C)(C)P(CC1CCCC1c1ccccc1P(c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of ditert-butyl-[[2-(2-diphenylphosphanylphenyl)cyclopentyl]methyl]phosphane?
The InChIKey is PAGQBSOGJIIUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42P2/c1-31(2,3)33(32(4,5)6)24-25-16-15-22-28(25)29-21-13-14-23-30(29)34(26-17-9-7-10-18-26)27-19-11-8-12-20-27/h7-14,17-21,23,25,28H,15-16,22,24H2,1-6H3.
What are the key properties of ditert-butyl-[[2-(2-diphenylphosphanylphenyl)cyclopentyl]methyl]phosphane?
ditert-butyl-[[2-(2-diphenylphosphanylphenyl)cyclopentyl]methyl]phosphane has a molecular weight of 488.64 g/mol, XLogP of 8.41, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[[2-(2-diphenylphosphanylphenyl)cyclopentyl]methyl]phosphane is sourced from PubChem (CID 137471998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).