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

C45H62P2 — CID 90109957

IUPAC1-bis(2-butylphenyl)phosphanylpentyl-bis(2-butylphenyl)phosphane
SMILESCCCCc1ccccc1P(c1ccccc1CCCC)C(CCCC)P(c1ccccc1CCCC)c1ccccc1CCCC
InChIInChI=1S/C45H62P2/c1-6-11-24-37-28-16-20-32-41(37)46(42-33-21-17-29-38(42)25-12-7-2)45(36-15-10-5)47(43-34-22-18-30-39(43)26-13-8-3)44-35-23-19-31-40(44)27-14-9-4/h16-23,28-35,45H,6-15,24-27,36H2,1-5H3
InChIKeyCEEFNXPPUOTHQJ-UHFFFAOYSA-N
MW664.94 g/mol
LogP12.14
Rot. Bonds21

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

1-bis(2-butylphenyl)phosphanylpentyl-bis(2-butylphenyl)phosphane (PubChem CID 90109957) has the molecular formula C45H62P2 and a molecular weight of 664.94 g/mol. Its IUPAC name is 1-bis(2-butylphenyl)phosphanylpentyl-bis(2-butylphenyl)phosphane.

Molecular Properties

Compound Name1-bis(2-butylphenyl)phosphanylpentyl-bis(2-butylphenyl)phosphane
PubChem CID90109957
Molecular FormulaC45H62P2
Molecular Weight664.94 g/mol
Exact Mass664.43
IUPAC Name1-bis(2-butylphenyl)phosphanylpentyl-bis(2-butylphenyl)phosphane
SMILESCCCCc1ccccc1P(c1ccccc1CCCC)C(CCCC)P(c1ccccc1CCCC)c1ccccc1CCCC
InChIInChI=1S/C45H62P2/c1-6-11-24-37-28-16-20-32-41(37)46(42-33-21-17-29-38(42)25-12-7-2)45(36-15-10-5)47(43-34-22-18-30-39(43)26-13-8-3)44-35-23-19-31-40(44)27-14-9-4/h16-23,28-35,45H,6-15,24-27,36H2,1-5H3
InChIKeyCEEFNXPPUOTHQJ-UHFFFAOYSA-N
XLogP12.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.94
LogP ≤ 512.14
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

1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane
CID 90109751
bis(2-butylphenyl)-[1,1,1-tris[bis(2-butylphenyl)phosphanyl]butan-2-yl]phosphane
CID 90108571
1-bis(2,3-dimethylphenyl)phosphanylhexyl-bis(2,3-dimethylphenyl)phosphane
CID 90109151
1-bis(2,3,4-tributylphenyl)phosphanyloctyl-bis(2,3,4-tributylphenyl)phosphane
CID 90111453
(2-butylphenyl)-diphenylphosphane;hydrobromide
CID 173070100
CID 159940559
CID 159940559
(2-butylphenyl)-dicyclopropyloxyphosphane
CID 69048795
bis(2-butylphenyl)-[1,2,2-tris[bis(2-butylphenyl)phosphanyl]cyclohexyl]phosphane
CID 90109967
(2-pentylphenyl)-diphenylphosphane
CID 22731138
2-butylbenzenethiol;trihydrofluoride
CID 173024842
(2-butylphenyl)-diphenylphosphane;thiocyanic acid
CID 172735043
1-(8-bromooctyl)-2-butylbenzene
CID 18786581

Frequently Asked Questions

What is the IUPAC name of 1-bis(2-butylphenyl)phosphanylpentyl-bis(2-butylphenyl)phosphane?
The IUPAC name of 1-bis(2-butylphenyl)phosphanylpentyl-bis(2-butylphenyl)phosphane (CID 90109957) is 1-bis(2-butylphenyl)phosphanylpentyl-bis(2-butylphenyl)phosphane.
What is the SMILES notation for 1-bis(2-butylphenyl)phosphanylpentyl-bis(2-butylphenyl)phosphane?
The canonical SMILES for 1-bis(2-butylphenyl)phosphanylpentyl-bis(2-butylphenyl)phosphane is CCCCc1ccccc1P(c1ccccc1CCCC)C(CCCC)P(c1ccccc1CCCC)c1ccccc1CCCC.
What is the InChIKey of 1-bis(2-butylphenyl)phosphanylpentyl-bis(2-butylphenyl)phosphane?
The InChIKey is CEEFNXPPUOTHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H62P2/c1-6-11-24-37-28-16-20-32-41(37)46(42-33-21-17-29-38(42)25-12-7-2)45(36-15-10-5)47(43-34-22-18-30-39(43)26-13-8-3)44-35-23-19-31-40(44)27-14-9-4/h16-23,28-35,45H,6-15,24-27,36H2,1-5H3.
What are the key properties of 1-bis(2-butylphenyl)phosphanylpentyl-bis(2-butylphenyl)phosphane?
1-bis(2-butylphenyl)phosphanylpentyl-bis(2-butylphenyl)phosphane has a molecular weight of 664.94 g/mol, XLogP of 12.14, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(2-butylphenyl)phosphanylpentyl-bis(2-butylphenyl)phosphane is sourced from PubChem (CID 90109957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).