1-bis(2,3,4-trimethylphenyl)phosphanyloctyl-bis(2,3,4-trimethylphenyl)phosphane

C44H60P2 — CID 90110960

IUPAC1-bis(2,3,4-trimethylphenyl)phosphanyloctyl-bis(2,3,4-trimethylphenyl)phosphane
SMILESCCCCCCCC(P(c1ccc(C)c(C)c1C)c1ccc(C)c(C)c1C)P(c1ccc(C)c(C)c1C)c1ccc(C)c(C)c1C
InChIInChI=1S/C44H60P2/c1-14-15-16-17-18-19-44(45(40-24-20-28(2)32(6)36(40)10)41-25-21-29(3)33(7)37(41)11)46(42-26-22-30(4)34(8)38(42)12)43-27-23-31(5)35(9)39(43)13/h20-27,44H,14-19H2,1-13H3
InChIKeyLMCQPPAETWNUGC-UHFFFAOYSA-N
MW650.91 g/mol
LogP11.64
Rot. Bonds12

About 1-bis(2,3,4-trimethylphenyl)phosphanyloctyl-bis(2,3,4-trimethylphenyl)phosphane

1-bis(2,3,4-trimethylphenyl)phosphanyloctyl-bis(2,3,4-trimethylphenyl)phosphane (PubChem CID 90110960) has the molecular formula C44H60P2 and a molecular weight of 650.91 g/mol. Its IUPAC name is 1-bis(2,3,4-trimethylphenyl)phosphanyloctyl-bis(2,3,4-trimethylphenyl)phosphane.

Molecular Properties

Compound Name1-bis(2,3,4-trimethylphenyl)phosphanyloctyl-bis(2,3,4-trimethylphenyl)phosphane
PubChem CID90110960
Molecular FormulaC44H60P2
Molecular Weight650.91 g/mol
Exact Mass650.42
IUPAC Name1-bis(2,3,4-trimethylphenyl)phosphanyloctyl-bis(2,3,4-trimethylphenyl)phosphane
SMILESCCCCCCCC(P(c1ccc(C)c(C)c1C)c1ccc(C)c(C)c1C)P(c1ccc(C)c(C)c1C)c1ccc(C)c(C)c1C
InChIInChI=1S/C44H60P2/c1-14-15-16-17-18-19-44(45(40-24-20-28(2)32(6)36(40)10)41-25-21-29(3)33(7)37(41)11)46(42-26-22-30(4)34(8)38(42)12)43-27-23-31(5)35(9)39(43)13/h20-27,44H,14-19H2,1-13H3
InChIKeyLMCQPPAETWNUGC-UHFFFAOYSA-N
XLogP11.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.91
LogP ≤ 511.64
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-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane
CID 90109151
1-bis(2,3,4-trimethylphenyl)phosphanylpropyl-bis(2,3,4-trimethylphenyl)phosphane
CID 90110540
1-bis(2,3,4-tributylphenyl)phosphanyloctyl-bis(2,3,4-tributylphenyl)phosphane
CID 90111453
hexyl-propyl-(2,3,4-trimethylphenyl)phosphane
CID 90109576
1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane
CID 90109751
(2,3-dimethylphenyl)-pentyl-(2,3,4-trimethylphenyl)phosphane
CID 90110620
bis(2,3,4-trimethylphenyl)phosphinous acid
CID 175402042
1-bis(2-butylphenyl)phosphanylpentyl-bis(2-butylphenyl)phosphane
CID 90109957
1-(2,3-dimethylphenyl)octan-1-ol
CID 63900365
1-(2,3-dimethylphenyl)heptylhydrazine
CID 105293889
1-(2-methoxy-3,4-dimethylphenyl)decan-1-ol
CID 103435642
hexane;1,2,3-trimethylbenzene
CID 159405289

Frequently Asked Questions

What is the IUPAC name of 1-bis(2,3,4-trimethylphenyl)phosphanyloctyl-bis(2,3,4-trimethylphenyl)phosphane?
The IUPAC name of 1-bis(2,3,4-trimethylphenyl)phosphanyloctyl-bis(2,3,4-trimethylphenyl)phosphane (CID 90110960) is 1-bis(2,3,4-trimethylphenyl)phosphanyloctyl-bis(2,3,4-trimethylphenyl)phosphane.
What is the SMILES notation for 1-bis(2,3,4-trimethylphenyl)phosphanyloctyl-bis(2,3,4-trimethylphenyl)phosphane?
The canonical SMILES for 1-bis(2,3,4-trimethylphenyl)phosphanyloctyl-bis(2,3,4-trimethylphenyl)phosphane is CCCCCCCC(P(c1ccc(C)c(C)c1C)c1ccc(C)c(C)c1C)P(c1ccc(C)c(C)c1C)c1ccc(C)c(C)c1C.
What is the InChIKey of 1-bis(2,3,4-trimethylphenyl)phosphanyloctyl-bis(2,3,4-trimethylphenyl)phosphane?
The InChIKey is LMCQPPAETWNUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H60P2/c1-14-15-16-17-18-19-44(45(40-24-20-28(2)32(6)36(40)10)41-25-21-29(3)33(7)37(41)11)46(42-26-22-30(4)34(8)38(42)12)43-27-23-31(5)35(9)39(43)13/h20-27,44H,14-19H2,1-13H3.
What are the key properties of 1-bis(2,3,4-trimethylphenyl)phosphanyloctyl-bis(2,3,4-trimethylphenyl)phosphane?
1-bis(2,3,4-trimethylphenyl)phosphanyloctyl-bis(2,3,4-trimethylphenyl)phosphane has a molecular weight of 650.91 g/mol, XLogP of 11.64, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(2,3,4-trimethylphenyl)phosphanyloctyl-bis(2,3,4-trimethylphenyl)phosphane is sourced from PubChem (CID 90110960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).