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

C88H133P3 — CID 90107998

IUPAC1,1-bis[bis(2,3-dibutylphenyl)phosphanyl]butyl-bis(2,3-dibutylphenyl)phosphane
SMILESCCCCc1cccc(P(c2cccc(CCCC)c2CCCC)C(CCC)(P(c2cccc(CCCC)c2CCCC)c2cccc(CCCC)c2CCCC)P(c2cccc(CCCC)c2CCCC)c2cccc(CCCC)c2CCCC)c1CCCC
InChIInChI=1S/C88H133P3/c1-14-27-45-70-51-39-63-82(76(70)57-33-20-7)89(83-64-40-52-71(46-28-15-2)77(83)58-34-21-8)88(69-26-13,90(84-65-41-53-72(47-29-16-3)78(84)59-35-22-9)85-66-42-54-73(48-30-17-4)79(85)60-36-23-10)91(86-67-43-55-74(49-31-18-5)80(86)61-37-24-11)87-68-44-56-75(50-32-19-6)81(87)62-38-25-12/h39-44,51-56,63-68H,14-38,45-50,57-62,69H2,1-13H3
InChIKeyJMOHGMAAPIPVGR-UHFFFAOYSA-N
MW1283.95 g/mol
LogP24.95
Rot. Bonds47

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

1,1-bis[bis(2,3-dibutylphenyl)phosphanyl]butyl-bis(2,3-dibutylphenyl)phosphane (PubChem CID 90107998) has the molecular formula C88H133P3 and a molecular weight of 1283.95 g/mol. Its IUPAC name is 1,1-bis[bis(2,3-dibutylphenyl)phosphanyl]butyl-bis(2,3-dibutylphenyl)phosphane.

Molecular Properties

Compound Name1,1-bis[bis(2,3-dibutylphenyl)phosphanyl]butyl-bis(2,3-dibutylphenyl)phosphane
PubChem CID90107998
Molecular FormulaC88H133P3
Molecular Weight1283.95 g/mol
Exact Mass1282.96
IUPAC Name1,1-bis[bis(2,3-dibutylphenyl)phosphanyl]butyl-bis(2,3-dibutylphenyl)phosphane
SMILESCCCCc1cccc(P(c2cccc(CCCC)c2CCCC)C(CCC)(P(c2cccc(CCCC)c2CCCC)c2cccc(CCCC)c2CCCC)P(c2cccc(CCCC)c2CCCC)c2cccc(CCCC)c2CCCC)c1CCCC
InChIInChI=1S/C88H133P3/c1-14-27-45-70-51-39-63-82(76(70)57-33-20-7)89(83-64-40-52-71(46-28-15-2)77(83)58-34-21-8)88(69-26-13,90(84-65-41-53-72(47-29-16-3)78(84)59-35-22-9)85-66-42-54-73(48-30-17-4)79(85)60-36-23-10)91(86-67-43-55-74(49-31-18-5)80(86)61-37-24-11)87-68-44-56-75(50-32-19-6)81(87)62-38-25-12/h39-44,51-56,63-68H,14-38,45-50,57-62,69H2,1-13H3
InChIKeyJMOHGMAAPIPVGR-UHFFFAOYSA-N
XLogP24.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds47
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001283.95
LogP ≤ 524.95
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(2,3-dibutylphenyl)-hexylphosphane
CID 158747686
1,1-bis[bis(2-methylphenyl)phosphanyl]butyl-bis(2-methylphenyl)phosphane
CID 90109790
1,2,3-tributylbenzene;hydrate
CID 172716323
(2,3-dibutylphenyl)phosphane
CID 19901991
(2,3-dibutylphenyl)-methyl-phenylphosphane
CID 90110911
[2,3-di(nonyl)phenyl]phosphonous acid
CID 19736789
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515
1,2-dibutyl-3-dodecylbenzene
CID 91050964
1,3-dibutyl-2-ethylbenzene
CID 22713046
[1-bis(2,3-dibutylphenyl)phosphanylcyclohexyl]-bis(2,3-dibutylphenyl)phosphane
CID 90110687
1,2,3-tri(icosyl)benzene
CID 90987509
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[bis(2,3-dibutylphenyl)phosphanyl]butyl-bis(2,3-dibutylphenyl)phosphane?
The IUPAC name of 1,1-bis[bis(2,3-dibutylphenyl)phosphanyl]butyl-bis(2,3-dibutylphenyl)phosphane (CID 90107998) is 1,1-bis[bis(2,3-dibutylphenyl)phosphanyl]butyl-bis(2,3-dibutylphenyl)phosphane.
What is the SMILES notation for 1,1-bis[bis(2,3-dibutylphenyl)phosphanyl]butyl-bis(2,3-dibutylphenyl)phosphane?
The canonical SMILES for 1,1-bis[bis(2,3-dibutylphenyl)phosphanyl]butyl-bis(2,3-dibutylphenyl)phosphane is CCCCc1cccc(P(c2cccc(CCCC)c2CCCC)C(CCC)(P(c2cccc(CCCC)c2CCCC)c2cccc(CCCC)c2CCCC)P(c2cccc(CCCC)c2CCCC)c2cccc(CCCC)c2CCCC)c1CCCC.
What is the InChIKey of 1,1-bis[bis(2,3-dibutylphenyl)phosphanyl]butyl-bis(2,3-dibutylphenyl)phosphane?
The InChIKey is JMOHGMAAPIPVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H133P3/c1-14-27-45-70-51-39-63-82(76(70)57-33-20-7)89(83-64-40-52-71(46-28-15-2)77(83)58-34-21-8)88(69-26-13,90(84-65-41-53-72(47-29-16-3)78(84)59-35-22-9)85-66-42-54-73(48-30-17-4)79(85)60-36-23-10)91(86-67-43-55-74(49-31-18-5)80(86)61-37-24-11)87-68-44-56-75(50-32-19-6)81(87)62-38-25-12/h39-44,51-56,63-68H,14-38,45-50,57-62,69H2,1-13H3.
What are the key properties of 1,1-bis[bis(2,3-dibutylphenyl)phosphanyl]butyl-bis(2,3-dibutylphenyl)phosphane?
1,1-bis[bis(2,3-dibutylphenyl)phosphanyl]butyl-bis(2,3-dibutylphenyl)phosphane has a molecular weight of 1283.95 g/mol, XLogP of 24.95, 47 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[bis(2,3-dibutylphenyl)phosphanyl]butyl-bis(2,3-dibutylphenyl)phosphane is sourced from PubChem (CID 90107998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).