(3,3-dibenzyl-4-phenylbutyl)phosphane

C24H27P — CID 69305296

IUPAC(3,3-dibenzyl-4-phenylbutyl)phosphane
SMILESPCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H27P/c25-17-16-24(18-21-10-4-1-5-11-21,19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15H,16-20,25H2
InChIKeyNJIXTQALIZVHSC-UHFFFAOYSA-N
MW346.45 g/mol
LogP5.97
Rot. Bonds8

About (3,3-dibenzyl-4-phenylbutyl)phosphane

(3,3-dibenzyl-4-phenylbutyl)phosphane (PubChem CID 69305296) has the molecular formula C24H27P and a molecular weight of 346.45 g/mol. Its IUPAC name is (3,3-dibenzyl-4-phenylbutyl)phosphane.

Molecular Properties

Compound Name(3,3-dibenzyl-4-phenylbutyl)phosphane
PubChem CID69305296
Molecular FormulaC24H27P
Molecular Weight346.45 g/mol
Exact Mass346.19
IUPAC Name(3,3-dibenzyl-4-phenylbutyl)phosphane
SMILESPCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H27P/c25-17-16-24(18-21-10-4-1-5-11-21,19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15H,16-20,25H2
InChIKeyNJIXTQALIZVHSC-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.45
LogP ≤ 55.97
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

M-Terphenyl
CID 7076
p-Terphenyl
CID 7115
O-Terphenyl
CID 6766
Triphenylethylene
CID 6025
Benzyltriphenylphosphonium chloride
CID 70671
Phosphine, tris(4-methylphenyl)-
CID 13956
Tris(4-methylphenyl)stibine
CID 79371
Dimethyldiphenylmethane
CID 13065
Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
CID 74060
Stibene, tri-o-tolyl-
CID 301718
Triphenylmethane
CID 10614
[(E)-4-phenylbut-2-enyl]benzene
CID 5370638

Frequently Asked Questions

What is the IUPAC name of (3,3-dibenzyl-4-phenylbutyl)phosphane?
The IUPAC name of (3,3-dibenzyl-4-phenylbutyl)phosphane (CID 69305296) is (3,3-dibenzyl-4-phenylbutyl)phosphane.
What is the SMILES notation for (3,3-dibenzyl-4-phenylbutyl)phosphane?
The canonical SMILES for (3,3-dibenzyl-4-phenylbutyl)phosphane is PCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (3,3-dibenzyl-4-phenylbutyl)phosphane?
The InChIKey is NJIXTQALIZVHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27P/c25-17-16-24(18-21-10-4-1-5-11-21,19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15H,16-20,25H2.
What are the key properties of (3,3-dibenzyl-4-phenylbutyl)phosphane?
(3,3-dibenzyl-4-phenylbutyl)phosphane has a molecular weight of 346.45 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dibenzyl-4-phenylbutyl)phosphane is sourced from PubChem (CID 69305296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).