[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane

C46H69P — CID 156775465

IUPAC[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane
SMILESCC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2P(C2CCCCC2)C(C)(C)C)c(C(C)C)c1
InChIInChI=1S/C46H69P/c1-28(2)34-24-39(30(5)6)43(40(25-34)31(7)8)37-22-19-23-38(45(37)47(46(13,14)15)36-20-17-16-18-21-36)44-41(32(9)10)26-35(29(3)4)27-42(44)33(11)12/h19,22-33,36H,16-18,20-21H2,1-15H3
InChIKeyXEPRATWVMYPJSV-UHFFFAOYSA-N
MW653.03 g/mol
LogP15.00
Rot. Bonds10

About [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane

[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane (PubChem CID 156775465) has the molecular formula C46H69P and a molecular weight of 653.03 g/mol. Its IUPAC name is [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane.

Molecular Properties

Compound Name[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane
PubChem CID156775465
Molecular FormulaC46H69P
Molecular Weight653.03 g/mol
Exact Mass652.51
IUPAC Name[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane
SMILESCC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2P(C2CCCCC2)C(C)(C)C)c(C(C)C)c1
InChIInChI=1S/C46H69P/c1-28(2)34-24-39(30(5)6)43(40(25-34)31(7)8)37-22-19-23-38(45(37)47(46(13,14)15)36-20-17-16-18-21-36)44-41(32(9)10)26-35(29(3)4)27-42(44)33(11)12/h19,22-33,36H,16-18,20-21H2,1-15H3
InChIKeyXEPRATWVMYPJSV-UHFFFAOYSA-N
XLogP15.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.03
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane?
The IUPAC name of [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane (CID 156775465) is [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane.
What is the SMILES notation for [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane?
The canonical SMILES for [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane is CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2P(C2CCCCC2)C(C)(C)C)c(C(C)C)c1.
What is the InChIKey of [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane?
The InChIKey is XEPRATWVMYPJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H69P/c1-28(2)34-24-39(30(5)6)43(40(25-34)31(7)8)37-22-19-23-38(45(37)47(46(13,14)15)36-20-17-16-18-21-36)44-41(32(9)10)26-35(29(3)4)27-42(44)33(11)12/h19,22-33,36H,16-18,20-21H2,1-15H3.
What are the key properties of [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane?
[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane has a molecular weight of 653.03 g/mol, XLogP of 15.00, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane is sourced from PubChem (CID 156775465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).