[1-bis(2,3-dibutylphenyl)phosphanylcyclohexyl]-bis(2,3-dibutylphenyl)phosphane

C62H94P2 — CID 90110687

IUPAC[1-bis(2,3-dibutylphenyl)phosphanylcyclohexyl]-bis(2,3-dibutylphenyl)phosphane
SMILESCCCCc1cccc(P(c2cccc(CCCC)c2CCCC)C2(P(c3cccc(CCCC)c3CCCC)c3cccc(CCCC)c3CCCC)CCCCC2)c1CCCC
InChIInChI=1S/C62H94P2/c1-9-17-32-50-36-28-44-58(54(50)40-21-13-5)63(59-45-29-37-51(33-18-10-2)55(59)41-22-14-6)62(48-26-25-27-49-62)64(60-46-30-38-52(34-19-11-3)56(60)42-23-15-7)61-47-31-39-53(35-20-12-4)57(61)43-24-16-8/h28-31,36-39,44-47H,9-27,32-35,40-43,48-49H2,1-8H3
InChIKeyKXCZBRAPPMNRIP-UHFFFAOYSA-N
MW901.38 g/mol
LogP17.65
Rot. Bonds30

About [1-bis(2,3-dibutylphenyl)phosphanylcyclohexyl]-bis(2,3-dibutylphenyl)phosphane

[1-bis(2,3-dibutylphenyl)phosphanylcyclohexyl]-bis(2,3-dibutylphenyl)phosphane (PubChem CID 90110687) has the molecular formula C62H94P2 and a molecular weight of 901.38 g/mol. Its IUPAC name is [1-bis(2,3-dibutylphenyl)phosphanylcyclohexyl]-bis(2,3-dibutylphenyl)phosphane.

Molecular Properties

Compound Name[1-bis(2,3-dibutylphenyl)phosphanylcyclohexyl]-bis(2,3-dibutylphenyl)phosphane
PubChem CID90110687
Molecular FormulaC62H94P2
Molecular Weight901.38 g/mol
Exact Mass900.68
IUPAC Name[1-bis(2,3-dibutylphenyl)phosphanylcyclohexyl]-bis(2,3-dibutylphenyl)phosphane
SMILESCCCCc1cccc(P(c2cccc(CCCC)c2CCCC)C2(P(c3cccc(CCCC)c3CCCC)c3cccc(CCCC)c3CCCC)CCCCC2)c1CCCC
InChIInChI=1S/C62H94P2/c1-9-17-32-50-36-28-44-58(54(50)40-21-13-5)63(59-45-29-37-51(33-18-10-2)55(59)41-22-14-6)62(48-26-25-27-49-62)64(60-46-30-38-52(34-19-11-3)56(60)42-23-15-7)61-47-31-39-53(35-20-12-4)57(61)43-24-16-8/h28-31,36-39,44-47H,9-27,32-35,40-43,48-49H2,1-8H3
InChIKeyKXCZBRAPPMNRIP-UHFFFAOYSA-N
XLogP17.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.38
LogP ≤ 517.65
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

bis(2-butylphenyl)-[1,2,2-tris[bis(2-butylphenyl)phosphanyl]cyclohexyl]phosphane
CID 90109967
[1-bis(2-methylphenyl)phosphanylcyclohexyl]-bis(2-methylphenyl)phosphane
CID 90111823
(2,3-dibutylphenyl)-methyl-phenylphosphane
CID 90110911
1,2,3-tributylbenzene;hydrate
CID 172716323
bis(2,3-dibutylphenyl)-hexylphosphane
CID 158747686
1,1-bis[bis(2,3-dibutylphenyl)phosphanyl]butyl-bis(2,3-dibutylphenyl)phosphane
CID 90107998
[2,3-di(nonyl)phenyl]phosphonous acid
CID 19736789
1,2-dipentylbenzene;1,2,3-tripentylbenzene
CID 161479121
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515
1,2-dibutyl-3-dodecylbenzene
CID 91050964
1,3-dibutyl-2-ethylbenzene
CID 22713046
(2,3-dibutylphenyl)phosphane
CID 19901991

Frequently Asked Questions

What is the IUPAC name of [1-bis(2,3-dibutylphenyl)phosphanylcyclohexyl]-bis(2,3-dibutylphenyl)phosphane?
The IUPAC name of [1-bis(2,3-dibutylphenyl)phosphanylcyclohexyl]-bis(2,3-dibutylphenyl)phosphane (CID 90110687) is [1-bis(2,3-dibutylphenyl)phosphanylcyclohexyl]-bis(2,3-dibutylphenyl)phosphane.
What is the SMILES notation for [1-bis(2,3-dibutylphenyl)phosphanylcyclohexyl]-bis(2,3-dibutylphenyl)phosphane?
The canonical SMILES for [1-bis(2,3-dibutylphenyl)phosphanylcyclohexyl]-bis(2,3-dibutylphenyl)phosphane is CCCCc1cccc(P(c2cccc(CCCC)c2CCCC)C2(P(c3cccc(CCCC)c3CCCC)c3cccc(CCCC)c3CCCC)CCCCC2)c1CCCC.
What is the InChIKey of [1-bis(2,3-dibutylphenyl)phosphanylcyclohexyl]-bis(2,3-dibutylphenyl)phosphane?
The InChIKey is KXCZBRAPPMNRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H94P2/c1-9-17-32-50-36-28-44-58(54(50)40-21-13-5)63(59-45-29-37-51(33-18-10-2)55(59)41-22-14-6)62(48-26-25-27-49-62)64(60-46-30-38-52(34-19-11-3)56(60)42-23-15-7)61-47-31-39-53(35-20-12-4)57(61)43-24-16-8/h28-31,36-39,44-47H,9-27,32-35,40-43,48-49H2,1-8H3.
What are the key properties of [1-bis(2,3-dibutylphenyl)phosphanylcyclohexyl]-bis(2,3-dibutylphenyl)phosphane?
[1-bis(2,3-dibutylphenyl)phosphanylcyclohexyl]-bis(2,3-dibutylphenyl)phosphane has a molecular weight of 901.38 g/mol, XLogP of 17.65, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-bis(2,3-dibutylphenyl)phosphanylcyclohexyl]-bis(2,3-dibutylphenyl)phosphane is sourced from PubChem (CID 90110687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).