bis(2-butylphenyl)-[1,2,2-tris[bis(2-butylphenyl)phosphanyl]cyclohexyl]phosphane

C86H112P4 — CID 90109967

IUPACbis(2-butylphenyl)-[1,2,2-tris[bis(2-butylphenyl)phosphanyl]cyclohexyl]phosphane
SMILESCCCCc1ccccc1P(c1ccccc1CCCC)C1(P(c2ccccc2CCCC)c2ccccc2CCCC)CCCCC1(P(c1ccccc1CCCC)c1ccccc1CCCC)P(c1ccccc1CCCC)c1ccccc1CCCC
InChIInChI=1S/C86H112P4/c1-9-17-43-69-51-25-33-59-77(69)87(78-60-34-26-52-70(78)44-18-10-2)85(88(79-61-35-27-53-71(79)45-19-11-3)80-62-36-28-54-72(80)46-20-12-4)67-41-42-68-86(85,89(81-63-37-29-55-73(81)47-21-13-5)82-64-38-30-56-74(82)48-22-14-6)90(83-65-39-31-57-75(83)49-23-15-7)84-66-40-32-58-76(84)50-24-16-8/h25-40,51-66H,9-24,41-50,67-68H2,1-8H3
InChIKeyRHQCQSGERVJYBC-UHFFFAOYSA-N
MW1269.74 g/mol
LogP22.23
Rot. Bonds36

About bis(2-butylphenyl)-[1,2,2-tris[bis(2-butylphenyl)phosphanyl]cyclohexyl]phosphane

bis(2-butylphenyl)-[1,2,2-tris[bis(2-butylphenyl)phosphanyl]cyclohexyl]phosphane (PubChem CID 90109967) has the molecular formula C86H112P4 and a molecular weight of 1269.74 g/mol. Its IUPAC name is bis(2-butylphenyl)-[1,2,2-tris[bis(2-butylphenyl)phosphanyl]cyclohexyl]phosphane.

Molecular Properties

Compound Namebis(2-butylphenyl)-[1,2,2-tris[bis(2-butylphenyl)phosphanyl]cyclohexyl]phosphane
PubChem CID90109967
Molecular FormulaC86H112P4
Molecular Weight1269.74 g/mol
Exact Mass1268.77
IUPAC Namebis(2-butylphenyl)-[1,2,2-tris[bis(2-butylphenyl)phosphanyl]cyclohexyl]phosphane
SMILESCCCCc1ccccc1P(c1ccccc1CCCC)C1(P(c2ccccc2CCCC)c2ccccc2CCCC)CCCCC1(P(c1ccccc1CCCC)c1ccccc1CCCC)P(c1ccccc1CCCC)c1ccccc1CCCC
InChIInChI=1S/C86H112P4/c1-9-17-43-69-51-25-33-59-77(69)87(78-60-34-26-52-70(78)44-18-10-2)85(88(79-61-35-27-53-71(79)45-19-11-3)80-62-36-28-54-72(80)46-20-12-4)67-41-42-68-86(85,89(81-63-37-29-55-73(81)47-21-13-5)82-64-38-30-56-74(82)48-22-14-6)90(83-65-39-31-57-75(83)49-23-15-7)84-66-40-32-58-76(84)50-24-16-8/h25-40,51-66H,9-24,41-50,67-68H2,1-8H3
InChIKeyRHQCQSGERVJYBC-UHFFFAOYSA-N
XLogP22.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds36
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001269.74
LogP ≤ 522.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(2-butylphenyl)-[1,2,2-tris[bis(2-butylphenyl)phosphanyl]cyclohexyl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-bis(2,3-dibutylphenyl)phosphanylcyclohexyl]-bis(2,3-dibutylphenyl)phosphane
CID 90110687
(2-butylphenyl)-diphenylphosphane;hydrobromide
CID 173070100
CID 159940559
CID 159940559
1-bis(2-butylphenyl)phosphanylpentyl-bis(2-butylphenyl)phosphane
CID 90109957
(2-butylphenyl)-dicyclopropyloxyphosphane
CID 69048795
1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane
CID 90109751
(2-pentylphenyl)-diphenylphosphane
CID 22731138
(2-butylphenyl)-diphenylphosphane;thiocyanic acid
CID 172735043
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

Frequently Asked Questions

What is the IUPAC name of bis(2-butylphenyl)-[1,2,2-tris[bis(2-butylphenyl)phosphanyl]cyclohexyl]phosphane?
The IUPAC name of bis(2-butylphenyl)-[1,2,2-tris[bis(2-butylphenyl)phosphanyl]cyclohexyl]phosphane (CID 90109967) is bis(2-butylphenyl)-[1,2,2-tris[bis(2-butylphenyl)phosphanyl]cyclohexyl]phosphane.
What is the SMILES notation for bis(2-butylphenyl)-[1,2,2-tris[bis(2-butylphenyl)phosphanyl]cyclohexyl]phosphane?
The canonical SMILES for bis(2-butylphenyl)-[1,2,2-tris[bis(2-butylphenyl)phosphanyl]cyclohexyl]phosphane is CCCCc1ccccc1P(c1ccccc1CCCC)C1(P(c2ccccc2CCCC)c2ccccc2CCCC)CCCCC1(P(c1ccccc1CCCC)c1ccccc1CCCC)P(c1ccccc1CCCC)c1ccccc1CCCC.
What is the InChIKey of bis(2-butylphenyl)-[1,2,2-tris[bis(2-butylphenyl)phosphanyl]cyclohexyl]phosphane?
The InChIKey is RHQCQSGERVJYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H112P4/c1-9-17-43-69-51-25-33-59-77(69)87(78-60-34-26-52-70(78)44-18-10-2)85(88(79-61-35-27-53-71(79)45-19-11-3)80-62-36-28-54-72(80)46-20-12-4)67-41-42-68-86(85,89(81-63-37-29-55-73(81)47-21-13-5)82-64-38-30-56-74(82)48-22-14-6)90(83-65-39-31-57-75(83)49-23-15-7)84-66-40-32-58-76(84)50-24-16-8/h25-40,51-66H,9-24,41-50,67-68H2,1-8H3.
What are the key properties of bis(2-butylphenyl)-[1,2,2-tris[bis(2-butylphenyl)phosphanyl]cyclohexyl]phosphane?
bis(2-butylphenyl)-[1,2,2-tris[bis(2-butylphenyl)phosphanyl]cyclohexyl]phosphane has a molecular weight of 1269.74 g/mol, XLogP of 22.23, 36 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-butylphenyl)-[1,2,2-tris[bis(2-butylphenyl)phosphanyl]cyclohexyl]phosphane is sourced from PubChem (CID 90109967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).