[2-(2,4,6-tripropylphenyl)phenyl]phosphane

C21H29P — CID 68965585

IUPAC[2-(2,4,6-tripropylphenyl)phenyl]phosphane
SMILESCCCc1cc(CCC)c(-c2ccccc2P)c(CCC)c1
InChIInChI=1S/C21H29P/c1-4-9-16-14-17(10-5-2)21(18(15-16)11-6-3)19-12-7-8-13-20(19)22/h7-8,12-15H,4-6,9-11,22H2,1-3H3
InChIKeyHCLMGJTVTRLNIC-UHFFFAOYSA-N
MW312.44 g/mol
LogP5.71
Rot. Bonds7

About [2-(2,4,6-tripropylphenyl)phenyl]phosphane

[2-(2,4,6-tripropylphenyl)phenyl]phosphane (PubChem CID 68965585) has the molecular formula C21H29P and a molecular weight of 312.44 g/mol. Its IUPAC name is [2-(2,4,6-tripropylphenyl)phenyl]phosphane.

Molecular Properties

Compound Name[2-(2,4,6-tripropylphenyl)phenyl]phosphane
PubChem CID68965585
Molecular FormulaC21H29P
Molecular Weight312.44 g/mol
Exact Mass312.20
IUPAC Name[2-(2,4,6-tripropylphenyl)phenyl]phosphane
SMILESCCCc1cc(CCC)c(-c2ccccc2P)c(CCC)c1
InChIInChI=1S/C21H29P/c1-4-9-16-14-17(10-5-2)21(18(15-16)11-6-3)19-12-7-8-13-20(19)22/h7-8,12-15H,4-6,9-11,22H2,1-3H3
InChIKeyHCLMGJTVTRLNIC-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.44
LogP ≤ 55.71
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-(2-methylphenyl)-1,3,5-tripropylbenzene
CID 90909135
2-phenyl-1,3,5-tripropylbenzene
CID 91174687
bis(2-methylpropyl)-[2-(2,4,6-tripropylphenyl)phenyl]phosphane
CID 126673786
(2,4,6-tripropylphenyl)phosphane
CID 158148560
1-propylazulene
CID 10397225
1-(2,4-dipropylphenyl)-3,5-dipropylbenzene
CID 174954649
9,9-diphenyl-1,3,6-tripropylfluorene
CID 123827868
1,3,5-tripropyl-2-[4-(trifluoromethyl)phenyl]benzene
CID 123667290
1,2-diethyl-4-propylbenzene
CID 54363919
[2-[2-(methoxymethyl)-6-phosphanylphenyl]phenyl]phosphane
CID 70841120
2,4-dimethyl-1-(2-propylphenyl)benzene
CID 123254969
1,4-bis[(2-methylphenyl)methyl]-2-propylbenzene
CID 22919653

Frequently Asked Questions

What is the IUPAC name of [2-(2,4,6-tripropylphenyl)phenyl]phosphane?
The IUPAC name of [2-(2,4,6-tripropylphenyl)phenyl]phosphane (CID 68965585) is [2-(2,4,6-tripropylphenyl)phenyl]phosphane.
What is the SMILES notation for [2-(2,4,6-tripropylphenyl)phenyl]phosphane?
The canonical SMILES for [2-(2,4,6-tripropylphenyl)phenyl]phosphane is CCCc1cc(CCC)c(-c2ccccc2P)c(CCC)c1.
What is the InChIKey of [2-(2,4,6-tripropylphenyl)phenyl]phosphane?
The InChIKey is HCLMGJTVTRLNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29P/c1-4-9-16-14-17(10-5-2)21(18(15-16)11-6-3)19-12-7-8-13-20(19)22/h7-8,12-15H,4-6,9-11,22H2,1-3H3.
What are the key properties of [2-(2,4,6-tripropylphenyl)phenyl]phosphane?
[2-(2,4,6-tripropylphenyl)phenyl]phosphane has a molecular weight of 312.44 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4,6-tripropylphenyl)phenyl]phosphane is sourced from PubChem (CID 68965585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).