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

C84H110P4 — CID 90108571

IUPACbis(2-butylphenyl)-[1,1,1-tris[bis(2-butylphenyl)phosphanyl]butan-2-yl]phosphane
SMILESCCCCc1ccccc1P(c1ccccc1CCCC)C(CC)C(P(c1ccccc1CCCC)c1ccccc1CCCC)(P(c1ccccc1CCCC)c1ccccc1CCCC)P(c1ccccc1CCCC)c1ccccc1CCCC
InChIInChI=1S/C84H110P4/c1-10-19-43-67-51-27-35-59-75(67)85(76-60-36-28-52-68(76)44-20-11-2)83(18-9)84(86(77-61-37-29-53-69(77)45-21-12-3)78-62-38-30-54-70(78)46-22-13-4,87(79-63-39-31-55-71(79)47-23-14-5)80-64-40-32-56-72(80)48-24-15-6)88(81-65-41-33-57-73(81)49-25-16-7)82-66-42-34-58-74(82)50-26-17-8/h27-42,51-66,83H,10-26,43-50H2,1-9H3
InChIKeyGHWJSUFHVQVABC-UHFFFAOYSA-N
MW1243.70 g/mol
LogP21.69
Rot. Bonds38

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

bis(2-butylphenyl)-[1,1,1-tris[bis(2-butylphenyl)phosphanyl]butan-2-yl]phosphane (PubChem CID 90108571) has the molecular formula C84H110P4 and a molecular weight of 1243.70 g/mol. Its IUPAC name is bis(2-butylphenyl)-[1,1,1-tris[bis(2-butylphenyl)phosphanyl]butan-2-yl]phosphane.

Molecular Properties

Compound Namebis(2-butylphenyl)-[1,1,1-tris[bis(2-butylphenyl)phosphanyl]butan-2-yl]phosphane
PubChem CID90108571
Molecular FormulaC84H110P4
Molecular Weight1243.70 g/mol
Exact Mass1242.76
IUPAC Namebis(2-butylphenyl)-[1,1,1-tris[bis(2-butylphenyl)phosphanyl]butan-2-yl]phosphane
SMILESCCCCc1ccccc1P(c1ccccc1CCCC)C(CC)C(P(c1ccccc1CCCC)c1ccccc1CCCC)(P(c1ccccc1CCCC)c1ccccc1CCCC)P(c1ccccc1CCCC)c1ccccc1CCCC
InChIInChI=1S/C84H110P4/c1-10-19-43-67-51-27-35-59-75(67)85(76-60-36-28-52-68(76)44-20-11-2)83(18-9)84(86(77-61-37-29-53-69(77)45-21-12-3)78-62-38-30-54-70(78)46-22-13-4,87(79-63-39-31-55-71(79)47-23-14-5)80-64-40-32-56-72(80)48-24-15-6)88(81-65-41-33-57-73(81)49-25-16-7)82-66-42-34-58-74(82)50-26-17-8/h27-42,51-66,83H,10-26,43-50H2,1-9H3
InChIKeyGHWJSUFHVQVABC-UHFFFAOYSA-N
XLogP21.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds38
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001243.70
LogP ≤ 521.69
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)phosphanylpentyl-bis(2-butylphenyl)phosphane
CID 90109957
1-bis(2-butylphenyl)phosphanyloctyl-bis(2-butylphenyl)phosphane
CID 90109751
(2-butylphenyl)-diphenylphosphane;hydrobromide
CID 173070100
CID 159940559
CID 159940559
1,1-bis[bis(2,3-dibutylphenyl)phosphanyl]butyl-bis(2,3-dibutylphenyl)phosphane
CID 90107998
(2-butylphenyl)-dicyclopropyloxyphosphane
CID 69048795
bis(2-butylphenyl)-[1,2,2-tris[bis(2-butylphenyl)phosphanyl]cyclohexyl]phosphane
CID 90109967
1-butyl-2-(disulfanyl)benzene
CID 88545056
(2-pentylphenyl)-diphenylphosphane
CID 22731138
1-bis(2-methylphenyl)phosphanylpropyl-bis(2-methylphenyl)phosphane
CID 90111167
2-butylbenzenethiol;trihydrofluoride
CID 173024842
1-butyl-2-propan-2-ylsulfanylbenzene
CID 142056517

Frequently Asked Questions

What is the IUPAC name of bis(2-butylphenyl)-[1,1,1-tris[bis(2-butylphenyl)phosphanyl]butan-2-yl]phosphane?
The IUPAC name of bis(2-butylphenyl)-[1,1,1-tris[bis(2-butylphenyl)phosphanyl]butan-2-yl]phosphane (CID 90108571) is bis(2-butylphenyl)-[1,1,1-tris[bis(2-butylphenyl)phosphanyl]butan-2-yl]phosphane.
What is the SMILES notation for bis(2-butylphenyl)-[1,1,1-tris[bis(2-butylphenyl)phosphanyl]butan-2-yl]phosphane?
The canonical SMILES for bis(2-butylphenyl)-[1,1,1-tris[bis(2-butylphenyl)phosphanyl]butan-2-yl]phosphane is CCCCc1ccccc1P(c1ccccc1CCCC)C(CC)C(P(c1ccccc1CCCC)c1ccccc1CCCC)(P(c1ccccc1CCCC)c1ccccc1CCCC)P(c1ccccc1CCCC)c1ccccc1CCCC.
What is the InChIKey of bis(2-butylphenyl)-[1,1,1-tris[bis(2-butylphenyl)phosphanyl]butan-2-yl]phosphane?
The InChIKey is GHWJSUFHVQVABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H110P4/c1-10-19-43-67-51-27-35-59-75(67)85(76-60-36-28-52-68(76)44-20-11-2)83(18-9)84(86(77-61-37-29-53-69(77)45-21-12-3)78-62-38-30-54-70(78)46-22-13-4,87(79-63-39-31-55-71(79)47-23-14-5)80-64-40-32-56-72(80)48-24-15-6)88(81-65-41-33-57-73(81)49-25-16-7)82-66-42-34-58-74(82)50-26-17-8/h27-42,51-66,83H,10-26,43-50H2,1-9H3.
What are the key properties of bis(2-butylphenyl)-[1,1,1-tris[bis(2-butylphenyl)phosphanyl]butan-2-yl]phosphane?
bis(2-butylphenyl)-[1,1,1-tris[bis(2-butylphenyl)phosphanyl]butan-2-yl]phosphane has a molecular weight of 1243.70 g/mol, XLogP of 21.69, 38 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-butylphenyl)-[1,1,1-tris[bis(2-butylphenyl)phosphanyl]butan-2-yl]phosphane is sourced from PubChem (CID 90108571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).