1-bis(2,3-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane

C38H48P2 — CID 90109151

IUPAC1-bis(2,3-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane
SMILESCCCCCC(P(c1cccc(C)c1C)c1cccc(C)c1C)P(c1cccc(C)c1C)c1cccc(C)c1C
InChIInChI=1S/C38H48P2/c1-10-11-12-25-38(39(34-21-13-17-26(2)30(34)6)35-22-14-18-27(3)31(35)7)40(36-23-15-19-28(4)32(36)8)37-24-16-20-29(5)33(37)9/h13-24,38H,10-12,25H2,1-9H3
InChIKeyFRGRJNYIOAAIGU-UHFFFAOYSA-N
MW566.75 g/mol
LogP9.63
Rot. Bonds10

About 1-bis(2,3-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane

1-bis(2,3-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane (PubChem CID 90109151) has the molecular formula C38H48P2 and a molecular weight of 566.75 g/mol. Its IUPAC name is 1-bis(2,3-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane.

Molecular Properties

Compound Name1-bis(2,3-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane
PubChem CID90109151
Molecular FormulaC38H48P2
Molecular Weight566.75 g/mol
Exact Mass566.32
IUPAC Name1-bis(2,3-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane
SMILESCCCCCC(P(c1cccc(C)c1C)c1cccc(C)c1C)P(c1cccc(C)c1C)c1cccc(C)c1C
InChIInChI=1S/C38H48P2/c1-10-11-12-25-38(39(34-21-13-17-26(2)30(34)6)35-22-14-18-27(3)31(35)7)40(36-23-15-19-28(4)32(36)8)37-24-16-20-29(5)33(37)9/h13-24,38H,10-12,25H2,1-9H3
InChIKeyFRGRJNYIOAAIGU-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 59.63
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'}

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Related Compounds

1-bis(2,3,4-trimethylphenyl)phosphanyloctyl-bis(2,3,4-trimethylphenyl)phosphane
CID 90110960
1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane
CID 90109751
(2,3-dimethylphenyl)-dipentylphosphane
CID 90112101
hexane;1,2,3-trimethylbenzene
CID 159405289
bis(2,3-dimethylphenyl)-octylphosphane
CID 161297882
1-bis(2-butylphenyl)phosphanylpentyl-bis(2-butylphenyl)phosphane
CID 90109957
1-bis(2,3,4-tributylphenyl)phosphanyloctyl-bis(2,3,4-tributylphenyl)phosphane
CID 90111453
(2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane
CID 90110620
1-(2,3-dimethylphenyl)octan-1-ol
CID 63900365
(1R)-1-(2,3-dimethylphenyl)hexan-1-amine
CID 171202560
1-(2,3-dimethylphenyl)dodecan-1-amine;hydrate
CID 173447782
1-bis(2-methylphenyl)phosphanylpropyl-bis(2-methylphenyl)phosphane
CID 90111167

Frequently Asked Questions

What is the IUPAC name of 1-bis(2,3-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane?
The IUPAC name of 1-bis(2,3-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane (CID 90109151) is 1-bis(2,3-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane.
What is the SMILES notation for 1-bis(2,3-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane?
The canonical SMILES for 1-bis(2,3-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane is CCCCCC(P(c1cccc(C)c1C)c1cccc(C)c1C)P(c1cccc(C)c1C)c1cccc(C)c1C.
What is the InChIKey of 1-bis(2,3-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane?
The InChIKey is FRGRJNYIOAAIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48P2/c1-10-11-12-25-38(39(34-21-13-17-26(2)30(34)6)35-22-14-18-27(3)31(35)7)40(36-23-15-19-28(4)32(36)8)37-24-16-20-29(5)33(37)9/h13-24,38H,10-12,25H2,1-9H3.
What are the key properties of 1-bis(2,3-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane?
1-bis(2,3-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane has a molecular weight of 566.75 g/mol, XLogP of 9.63, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(2,3-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane is sourced from PubChem (CID 90109151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).