2,2,8,8-tetramethyl-1-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphocane

C32H49P — CID 58067321

IUPAC2,2,8,8-tetramethyl-1-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphocane
SMILESCC(C)c1cc(C(C)C)c(-c2ccccc2P2C(C)(C)CCCCCC2(C)C)c(C(C)C)c1
InChIInChI=1S/C32H49P/c1-22(2)25-20-27(23(3)4)30(28(21-25)24(5)6)26-16-12-13-17-29(26)33-31(7,8)18-14-11-15-19-32(33,9)10/h12-13,16-17,20-24H,11,14-15,18-19H2,1-10H3
InChIKeyHBWLLFOZCKHUTA-UHFFFAOYSA-N
MW464.72 g/mol
LogP10.35
Rot. Bonds5

About 2,2,8,8-tetramethyl-1-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphocane

2,2,8,8-tetramethyl-1-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphocane (PubChem CID 58067321) has the molecular formula C32H49P and a molecular weight of 464.72 g/mol. Its IUPAC name is 2,2,8,8-tetramethyl-1-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphocane.

Molecular Properties

Compound Name2,2,8,8-tetramethyl-1-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphocane
PubChem CID58067321
Molecular FormulaC32H49P
Molecular Weight464.72 g/mol
Exact Mass464.36
IUPAC Name2,2,8,8-tetramethyl-1-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphocane
SMILESCC(C)c1cc(C(C)C)c(-c2ccccc2P2C(C)(C)CCCCCC2(C)C)c(C(C)C)c1
InChIInChI=1S/C32H49P/c1-22(2)25-20-27(23(3)4)30(28(21-25)24(5)6)26-16-12-13-17-29(26)33-31(7,8)18-14-11-15-19-32(33,9)10/h12-13,16-17,20-24H,11,14-15,18-19H2,1-10H3
InChIKeyHBWLLFOZCKHUTA-UHFFFAOYSA-N
XLogP10.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.72
LogP ≤ 510.35
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

2,2,6,6-tetramethyl-1-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphinane
CID 87094998
1-[2-(3,5-dimethoxyphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one;1-[4,5-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one
CID 158328556
2-[2-(1,1-dicyclohexylpropyl)phenyl]-1,3,5-tri(propan-2-yl)benzene
CID 177211628
dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane
CID 121225630
[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane
CID 156775465
1-[2,4,6-tri(propan-2-yl)phenyl]-9H-carbazole
CID 175005160
tetrakis([2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphanium);bis(palladium)
CID 175358759
acetic acid;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;palladium
CID 139233880
[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane
CID 139466257
2-(4-phenylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 151062491
dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane
CID 70670127
dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;palladium(2+);diacetate
CID 86647063

Frequently Asked Questions

What is the IUPAC name of 2,2,8,8-tetramethyl-1-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphocane?
The IUPAC name of 2,2,8,8-tetramethyl-1-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphocane (CID 58067321) is 2,2,8,8-tetramethyl-1-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphocane.
What is the SMILES notation for 2,2,8,8-tetramethyl-1-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphocane?
The canonical SMILES for 2,2,8,8-tetramethyl-1-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphocane is CC(C)c1cc(C(C)C)c(-c2ccccc2P2C(C)(C)CCCCCC2(C)C)c(C(C)C)c1.
What is the InChIKey of 2,2,8,8-tetramethyl-1-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphocane?
The InChIKey is HBWLLFOZCKHUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H49P/c1-22(2)25-20-27(23(3)4)30(28(21-25)24(5)6)26-16-12-13-17-29(26)33-31(7,8)18-14-11-15-19-32(33,9)10/h12-13,16-17,20-24H,11,14-15,18-19H2,1-10H3.
What are the key properties of 2,2,8,8-tetramethyl-1-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphocane?
2,2,8,8-tetramethyl-1-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphocane has a molecular weight of 464.72 g/mol, XLogP of 10.35, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,8,8-tetramethyl-1-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphocane is sourced from PubChem (CID 58067321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).