1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane

C48H68P2 — CID 90109751

IUPAC1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane
SMILESCCCCCCCC(P(c1ccccc1CCCC)c1ccccc1CCCC)P(c1ccccc1CCCC)c1ccccc1CCCC
InChIInChI=1S/C48H68P2/c1-6-11-16-17-18-39-48(49(44-35-23-19-31-40(44)27-12-7-2)45-36-24-20-32-41(45)28-13-8-3)50(46-37-25-21-33-42(46)29-14-9-4)47-38-26-22-34-43(47)30-15-10-5/h19-26,31-38,48H,6-18,27-30,39H2,1-5H3
InChIKeyPOJIYNQWNPNMFN-UHFFFAOYSA-N
MW707.02 g/mol
LogP13.31
Rot. Bonds24

About 1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane

1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane (PubChem CID 90109751) has the molecular formula C48H68P2 and a molecular weight of 707.02 g/mol. Its IUPAC name is 1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane.

Molecular Properties

Compound Name1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane
PubChem CID90109751
Molecular FormulaC48H68P2
Molecular Weight707.02 g/mol
Exact Mass706.48
IUPAC Name1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane
SMILESCCCCCCCC(P(c1ccccc1CCCC)c1ccccc1CCCC)P(c1ccccc1CCCC)c1ccccc1CCCC
InChIInChI=1S/C48H68P2/c1-6-11-16-17-18-39-48(49(44-35-23-19-31-40(44)27-12-7-2)45-36-24-20-32-41(45)28-13-8-3)50(46-37-25-21-33-42(46)29-14-9-4)47-38-26-22-34-43(47)30-15-10-5/h19-26,31-38,48H,6-18,27-30,39H2,1-5H3
InChIKeyPOJIYNQWNPNMFN-UHFFFAOYSA-N
XLogP13.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.02
LogP ≤ 513.31
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-butylphenyl)phosphanylpentyl-bis(2-butylphenyl)phosphane
CID 90109957
1-bis(2,3,4-tributylphenyl)phosphanyloctyl-bis(2,3,4-tributylphenyl)phosphane
CID 90111453
1-bis(2,3-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane
CID 90109151
bis(2-butylphenyl)-[1,1,1-tris[bis(2-butylphenyl)phosphanyl]butan-2-yl]phosphane
CID 90108571
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
(2-butylphenyl)-dicyclopropyloxyphosphane
CID 69048795
1-bis(2,3,4-trimethylphenyl)phosphanyloctyl-bis(2,3,4-trimethylphenyl)phosphane
CID 90110960
1,2-dihexylbenzene;hydrate
CID 172833093

Frequently Asked Questions

What is the IUPAC name of 1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane?
The IUPAC name of 1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane (CID 90109751) is 1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane.
What is the SMILES notation for 1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane?
The canonical SMILES for 1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane is CCCCCCCC(P(c1ccccc1CCCC)c1ccccc1CCCC)P(c1ccccc1CCCC)c1ccccc1CCCC.
What is the InChIKey of 1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane?
The InChIKey is POJIYNQWNPNMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H68P2/c1-6-11-16-17-18-39-48(49(44-35-23-19-31-40(44)27-12-7-2)45-36-24-20-32-41(45)28-13-8-3)50(46-37-25-21-33-42(46)29-14-9-4)47-38-26-22-34-43(47)30-15-10-5/h19-26,31-38,48H,6-18,27-30,39H2,1-5H3.
What are the key properties of 1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane?
1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane has a molecular weight of 707.02 g/mol, XLogP of 13.31, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane is sourced from PubChem (CID 90109751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).