1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane

C20H29P — CID 67329738

IUPAC1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
SMILESCC(C)(C)c1ccccc1-c1ccccc1C(C)(C)C.P
InChIInChI=1S/C20H26.H3P/c1-19(2,3)17-13-9-7-11-15(17)16-12-8-10-14-18(16)20(4,5)6;/h7-14H,1-6H3;1H3
InChIKeyDBPOHDUYXBPGSU-UHFFFAOYSA-N
MW300.43 g/mol
LogP6.01
Rot. Bonds1

About 1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane

1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane (PubChem CID 67329738) has the molecular formula C20H29P and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane.

Molecular Properties

Compound Name1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
PubChem CID67329738
Molecular FormulaC20H29P
Molecular Weight300.43 g/mol
Exact Mass300.20
IUPAC Name1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
SMILESCC(C)(C)c1ccccc1-c1ccccc1C(C)(C)C.P
InChIInChI=1S/C20H26.H3P/c1-19(2,3)17-13-9-7-11-15(17)16-12-8-10-14-18(16)20(4,5)6;/h7-14H,1-6H3;1H3
InChIKeyDBPOHDUYXBPGSU-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.43
LogP ≤ 56.01
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 1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane?
The IUPAC name of 1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane (CID 67329738) is 1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane.
What is the SMILES notation for 1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane?
The canonical SMILES for 1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane is CC(C)(C)c1ccccc1-c1ccccc1C(C)(C)C.P.
What is the InChIKey of 1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane?
The InChIKey is DBPOHDUYXBPGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26.H3P/c1-19(2,3)17-13-9-7-11-15(17)16-12-8-10-14-18(16)20(4,5)6;/h7-14H,1-6H3;1H3.
What are the key properties of 1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane?
1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane has a molecular weight of 300.43 g/mol, XLogP of 6.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane is sourced from PubChem (CID 67329738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).