bis(2,3-dibutylphenyl)-hexylphosphane

C34H55P — CID 158747686

IUPACbis(2,3-dibutylphenyl)-hexylphosphane
SMILESCCCCCCP(c1cccc(CCCC)c1CCCC)c1cccc(CCCC)c1CCCC
InChIInChI=1S/C34H55P/c1-6-11-16-17-28-35(33-26-18-22-29(20-12-7-2)31(33)24-14-9-4)34-27-19-23-30(21-13-8-3)32(34)25-15-10-5/h18-19,22-23,26-27H,6-17,20-21,24-25,28H2,1-5H3
InChIKeyINBTVUVZQPRYKY-UHFFFAOYSA-N
MW494.79 g/mol
LogP10.07
Rot. Bonds19

About bis(2,3-dibutylphenyl)-hexylphosphane

bis(2,3-dibutylphenyl)-hexylphosphane (PubChem CID 158747686) has the molecular formula C34H55P and a molecular weight of 494.79 g/mol. Its IUPAC name is bis(2,3-dibutylphenyl)-hexylphosphane.

Molecular Properties

Compound Namebis(2,3-dibutylphenyl)-hexylphosphane
PubChem CID158747686
Molecular FormulaC34H55P
Molecular Weight494.79 g/mol
Exact Mass494.40
IUPAC Namebis(2,3-dibutylphenyl)-hexylphosphane
SMILESCCCCCCP(c1cccc(CCCC)c1CCCC)c1cccc(CCCC)c1CCCC
InChIInChI=1S/C34H55P/c1-6-11-16-17-28-35(33-26-18-22-29(20-12-7-2)31(33)24-14-9-4)34-27-19-23-30(21-13-8-3)32(34)25-15-10-5/h18-19,22-23,26-27H,6-17,20-21,24-25,28H2,1-5H3
InChIKeyINBTVUVZQPRYKY-UHFFFAOYSA-N
XLogP10.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.79
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(2,3-dibutylphenyl)-hexylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2,3-di(nonyl)phenyl]phosphonous acid
CID 19736789
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515
1,2-dibutyl-3-dodecylbenzene
CID 91050964
bis(2,3-dimethylphenyl)-octylphosphane
CID 161297882
butyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane
CID 90108443
1,2,3-tri(icosyl)benzene
CID 90987509
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
1,1-bis[bis(2,3-dibutylphenyl)phosphanyl]butyl-bis(2,3-dibutylphenyl)phosphane
CID 90107998
2-butyl-1-octyl-3-propylbenzene
CID 141216645
1,2-dihexyl-3-methylbenzene
CID 15920121
1,2,3-tributylbenzene;hydrate
CID 172716323
(2-methylphenyl)-propyl-(2,3,4-tributylphenyl)phosphane
CID 90108297

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dibutylphenyl)-hexylphosphane?
The IUPAC name of bis(2,3-dibutylphenyl)-hexylphosphane (CID 158747686) is bis(2,3-dibutylphenyl)-hexylphosphane.
What is the SMILES notation for bis(2,3-dibutylphenyl)-hexylphosphane?
The canonical SMILES for bis(2,3-dibutylphenyl)-hexylphosphane is CCCCCCP(c1cccc(CCCC)c1CCCC)c1cccc(CCCC)c1CCCC.
What is the InChIKey of bis(2,3-dibutylphenyl)-hexylphosphane?
The InChIKey is INBTVUVZQPRYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H55P/c1-6-11-16-17-28-35(33-26-18-22-29(20-12-7-2)31(33)24-14-9-4)34-27-19-23-30(21-13-8-3)32(34)25-15-10-5/h18-19,22-23,26-27H,6-17,20-21,24-25,28H2,1-5H3.
What are the key properties of bis(2,3-dibutylphenyl)-hexylphosphane?
bis(2,3-dibutylphenyl)-hexylphosphane has a molecular weight of 494.79 g/mol, XLogP of 10.07, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dibutylphenyl)-hexylphosphane is sourced from PubChem (CID 158747686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).