bis(2,3-dimethylphenyl)-(2,3,4-tripropylphenyl)phosphane

C31H41P — CID 90108140

IUPACbis(2,3-dimethylphenyl)-(2,3,4-tripropylphenyl)phosphane
SMILESCCCc1ccc(P(c2cccc(C)c2C)c2cccc(C)c2C)c(CCC)c1CCC
InChIInChI=1S/C31H41P/c1-8-13-26-20-21-31(28(15-10-3)27(26)14-9-2)32(29-18-11-16-22(4)24(29)6)30-19-12-17-23(5)25(30)7/h11-12,16-21H,8-10,13-15H2,1-7H3
InChIKeyLSEDJAOWTXYQFG-UHFFFAOYSA-N
MW444.64 g/mol
LogP7.54
Rot. Bonds9

About bis(2,3-dimethylphenyl)-(2,3,4-tripropylphenyl)phosphane

bis(2,3-dimethylphenyl)-(2,3,4-tripropylphenyl)phosphane (PubChem CID 90108140) has the molecular formula C31H41P and a molecular weight of 444.64 g/mol. Its IUPAC name is bis(2,3-dimethylphenyl)-(2,3,4-tripropylphenyl)phosphane.

Molecular Properties

Compound Namebis(2,3-dimethylphenyl)-(2,3,4-tripropylphenyl)phosphane
PubChem CID90108140
Molecular FormulaC31H41P
Molecular Weight444.64 g/mol
Exact Mass444.29
IUPAC Namebis(2,3-dimethylphenyl)-(2,3,4-tripropylphenyl)phosphane
SMILESCCCc1ccc(P(c2cccc(C)c2C)c2cccc(C)c2C)c(CCC)c1CCC
InChIInChI=1S/C31H41P/c1-8-13-26-20-21-31(28(15-10-3)27(26)14-9-2)32(29-18-11-16-22(4)24(29)6)30-19-12-17-23(5)25(30)7/h11-12,16-21H,8-10,13-15H2,1-7H3
InChIKeyLSEDJAOWTXYQFG-UHFFFAOYSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.64
LogP ≤ 57.54
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

butyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane
CID 90108443
[2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane
CID 90108584
(2-methylphenyl)-propyl-(2,3,4-tributylphenyl)phosphane
CID 90108297
1,2,3,4-tetrabutylbenzene
CID 11220391
2-ethyl-3-methyl-1,4-dipropylbenzene
CID 155697581
1-chloro-2-methyl-3,4-dipropylbenzene
CID 143014391
(2,3-dimethylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)phosphane
CID 90108633
2-methyl-3,4-dipropylaniline
CID 70515438
butyl-ethyl-(2,3,4-tributylphenyl)phosphane
CID 90109710
(2,3-dimethylphenyl)-dipentylphosphane
CID 90112101
(2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane
CID 90110620
2-fluoro-1-methyl-3-propylbenzene
CID 54557935

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylphenyl)-(2,3,4-tripropylphenyl)phosphane?
The IUPAC name of bis(2,3-dimethylphenyl)-(2,3,4-tripropylphenyl)phosphane (CID 90108140) is bis(2,3-dimethylphenyl)-(2,3,4-tripropylphenyl)phosphane.
What is the SMILES notation for bis(2,3-dimethylphenyl)-(2,3,4-tripropylphenyl)phosphane?
The canonical SMILES for bis(2,3-dimethylphenyl)-(2,3,4-tripropylphenyl)phosphane is CCCc1ccc(P(c2cccc(C)c2C)c2cccc(C)c2C)c(CCC)c1CCC.
What is the InChIKey of bis(2,3-dimethylphenyl)-(2,3,4-tripropylphenyl)phosphane?
The InChIKey is LSEDJAOWTXYQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41P/c1-8-13-26-20-21-31(28(15-10-3)27(26)14-9-2)32(29-18-11-16-22(4)24(29)6)30-19-12-17-23(5)25(30)7/h11-12,16-21H,8-10,13-15H2,1-7H3.
What are the key properties of bis(2,3-dimethylphenyl)-(2,3,4-tripropylphenyl)phosphane?
bis(2,3-dimethylphenyl)-(2,3,4-tripropylphenyl)phosphane has a molecular weight of 444.64 g/mol, XLogP of 7.54, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylphenyl)-(2,3,4-tripropylphenyl)phosphane is sourced from PubChem (CID 90108140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).