[2,6-bis[2,6-di(propan-2-yloxy)phenyl]phenyl]-tert-butyl-cyclohexylphosphane

C40H57O4P — CID 170566802

IUPAC[2,6-bis[2,6-di(propan-2-yloxy)phenyl]phenyl]-tert-butyl-cyclohexylphosphane
SMILESCC(C)Oc1cccc(OC(C)C)c1-c1cccc(-c2c(OC(C)C)cccc2OC(C)C)c1P(C1CCCCC1)C(C)(C)C
InChIInChI=1S/C40H57O4P/c1-26(2)41-33-22-16-23-34(42-27(3)4)37(33)31-20-15-21-32(39(31)45(40(9,10)11)30-18-13-12-14-19-30)38-35(43-28(5)6)24-17-25-36(38)44-29(7)8/h15-17,20-30H,12-14,18-19H2,1-11H3
InChIKeyXKDLXFFGUJBHRL-UHFFFAOYSA-N
MW632.87 g/mol
LogP11.41
Rot. Bonds12

About [2,6-bis[2,6-di(propan-2-yloxy)phenyl]phenyl]-tert-butyl-cyclohexylphosphane

[2,6-bis[2,6-di(propan-2-yloxy)phenyl]phenyl]-tert-butyl-cyclohexylphosphane (PubChem CID 170566802) has the molecular formula C40H57O4P and a molecular weight of 632.87 g/mol. Its IUPAC name is [2,6-bis[2,6-di(propan-2-yloxy)phenyl]phenyl]-tert-butyl-cyclohexylphosphane.

Molecular Properties

Compound Name[2,6-bis[2,6-di(propan-2-yloxy)phenyl]phenyl]-tert-butyl-cyclohexylphosphane
PubChem CID170566802
Molecular FormulaC40H57O4P
Molecular Weight632.87 g/mol
Exact Mass632.40
IUPAC Name[2,6-bis[2,6-di(propan-2-yloxy)phenyl]phenyl]-tert-butyl-cyclohexylphosphane
SMILESCC(C)Oc1cccc(OC(C)C)c1-c1cccc(-c2c(OC(C)C)cccc2OC(C)C)c1P(C1CCCCC1)C(C)(C)C
InChIInChI=1S/C40H57O4P/c1-26(2)41-33-22-16-23-34(42-27(3)4)37(33)31-20-15-21-32(39(31)45(40(9,10)11)30-18-13-12-14-19-30)38-35(43-28(5)6)24-17-25-36(38)44-29(7)8/h15-17,20-30H,12-14,18-19H2,1-11H3
InChIKeyXKDLXFFGUJBHRL-UHFFFAOYSA-N
XLogP11.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.87
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane
CID 156775465
cyclohexylcyclohexane;[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane
CID 175023032
dicyclohexyl-[2-(2-propan-2-yloxy-6-propoxyphenyl)phenyl]phosphane
CID 70881184
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;1,3-dimethoxy-2-(2-methylphenyl)benzene
CID 158459712
ditert-butyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane
CID 153323041
2-[2-[1-[cyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphanyl]cyclohexyl]phenyl]aniline
CID 175922901
but-2-enyl-dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphanium;palladium(2+)
CID 175965117
dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;palladium;prop-2-enylbenzene;chloride
CID 172894343
dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;bis((3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane)
CID 146279088
dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]benzene-6-id-1-yl]phosphane;palladium(2+);2-phenylcyclohexa-2,4-dien-1-amine
CID 169044953
2-dicyclohexylphosphanyl-3-(2,6-dimethoxyphenyl)benzenesulfonic acid;methane
CID 172858145
ditert-butyl-[2-(2,6-dicyclohexyloxyphenyl)phenyl]phosphane
CID 142281030

Frequently Asked Questions

What is the IUPAC name of [2,6-bis[2,6-di(propan-2-yloxy)phenyl]phenyl]-tert-butyl-cyclohexylphosphane?
The IUPAC name of [2,6-bis[2,6-di(propan-2-yloxy)phenyl]phenyl]-tert-butyl-cyclohexylphosphane (CID 170566802) is [2,6-bis[2,6-di(propan-2-yloxy)phenyl]phenyl]-tert-butyl-cyclohexylphosphane.
What is the SMILES notation for [2,6-bis[2,6-di(propan-2-yloxy)phenyl]phenyl]-tert-butyl-cyclohexylphosphane?
The canonical SMILES for [2,6-bis[2,6-di(propan-2-yloxy)phenyl]phenyl]-tert-butyl-cyclohexylphosphane is CC(C)Oc1cccc(OC(C)C)c1-c1cccc(-c2c(OC(C)C)cccc2OC(C)C)c1P(C1CCCCC1)C(C)(C)C.
What is the InChIKey of [2,6-bis[2,6-di(propan-2-yloxy)phenyl]phenyl]-tert-butyl-cyclohexylphosphane?
The InChIKey is XKDLXFFGUJBHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H57O4P/c1-26(2)41-33-22-16-23-34(42-27(3)4)37(33)31-20-15-21-32(39(31)45(40(9,10)11)30-18-13-12-14-19-30)38-35(43-28(5)6)24-17-25-36(38)44-29(7)8/h15-17,20-30H,12-14,18-19H2,1-11H3.
What are the key properties of [2,6-bis[2,6-di(propan-2-yloxy)phenyl]phenyl]-tert-butyl-cyclohexylphosphane?
[2,6-bis[2,6-di(propan-2-yloxy)phenyl]phenyl]-tert-butyl-cyclohexylphosphane has a molecular weight of 632.87 g/mol, XLogP of 11.41, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis[2,6-di(propan-2-yloxy)phenyl]phenyl]-tert-butyl-cyclohexylphosphane is sourced from PubChem (CID 170566802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).