1-tert-butyl-3,5-bis(4-tert-butylphenyl)benzene;2-tert-butyl-1,3-bis(4-tert-butylphenyl)benzene;bis(1-tert-butyl-3,5-dimethylbenzene);2-tert-butyl-1,3-diphenylbenzene;1-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2,3,4,6-tetradeuterio-5-methylbenzene;1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene

C145H176 — CID 164960133

About 1-tert-butyl-3,5-bis(4-tert-butylphenyl)benzene;2-tert-butyl-1,3-bis(4-tert-butylphenyl)benzene;bis(1-tert-butyl-3,5-dimethylbenzene);2-tert-butyl-1,3-diphenylbenzene;1-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2,3,4,6-tetradeuterio-5-methylbenzene;1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene

1-tert-butyl-3,5-bis(4-tert-butylphenyl)benzene;2-tert-butyl-1,3-bis(4-tert-butylphenyl)benzene;bis(1-tert-butyl-3,5-dimethylbenzene);2-tert-butyl-1,3-diphenylbenzene;1-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2,3,4,6-tetradeuterio-5-methylbenzene;1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene (PubChem CID 164960133) has the molecular formula C145H176 and a molecular weight of 1933.09 g/mol. Its IUPAC name is 1-tert-butyl-3,5-bis(4-tert-butylphenyl)benzene;2-tert-butyl-1,3-bis(4-tert-butylphenyl)benzene;bis(1-tert-butyl-3,5-dimethylbenzene);2-tert-butyl-1,3-diphenylbenzene;1-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2,3,4,6-tetradeuterio-5-methylbenzene;1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene.

Molecular Properties

• Compound Name: 1-tert-butyl-3,5-bis(4-tert-butylphenyl)benzene;2-tert-butyl-1,3-bis(4-tert-butylphenyl)benzene;bis(1-tert-butyl-3,5-dimethylbenzene);2-tert-butyl-1,3-diphenylbenzene;1-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2,3,4,6-tetradeuterio-5-methylbenzene;1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene
• PubChem CID: 164960133
• Molecular Formula: C145H176
• Molecular Weight: 1933.09 g/mol
• Exact Mass: 1931.47
• IUPAC Name: 1-tert-butyl-3,5-bis(4-tert-butylphenyl)benzene;2-tert-butyl-1,3-bis(4-tert-butylphenyl)benzene;bis(1-tert-butyl-3,5-dimethylbenzene);2-tert-butyl-1,3-diphenylbenzene;1-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2,3,4,6-tetradeuterio-5-methylbenzene;1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene
• SMILES: CC(C)(C)c1c(-c2ccccc2)cccc1-c1ccccc1.CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(C(C)(C)C)c2)cc1.CC(C)(C)c1ccc(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2C(C)(C)C)cc1.Cc1cc(C)cc(C(C)(C)C)c1.Cc1cc(C)cc(C(C)(C)C)c1.[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c(C)c3[2H])c2C(C)(C)C)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccccc2C(C)(C)C)c([2H])c1[2H]
• InChI: InChI=1S/2C30H38.C23H24.C22H22.C16H18.2C12H18/c1-28(2,3)25-14-10-21(11-15-25)23-18-24(20-27(19-23)30(7,8)9)22-12-16-26(17-13-22)29(4,5)6;1-28(2,3)23-17-13-21(14-18-23)25-11-10-12-26(27(25)30(7,8)9)22-15-19-24(20-16-22)29(4,5)6;1-17-10-8-13-19(16-17)21-15-9-14-20(22(21)23(2,3)4)18-11-6-5-7-12-18;1-22(2,3)21-19(17-11-6-4-7-12-17)15-10-16-20(21)18-13-8-5-9-14-18;1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;2*1-9-6-10(2)8-11(7-9)12(3,4)5/h2*10-20H,1-9H3;5-16H,1-4H3;4-16H,1-3H3;4-12H,1-3H3;2*6-8H,1-5H3/i;;5D,6D,7D,8D,10D,11D,12D,13D,16D;;4D,5D,6D,9D,10D
• InChIKey: BSLRSLCKXPCSBC-IUCKAMHRSA-N
• XLogP: 42.62
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1933.09
LogP ≤ 5	42.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,5-bis(4-tert-butylphenyl)benzene;2-tert-butyl-1,3-bis(4-tert-butylphenyl)benzene;bis(1-tert-butyl-3,5-dimethylbenzene);2-tert-butyl-1,3-diphenylbenzene;1-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2,3,4,6-tetradeuterio-5-methylbenzene;1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene?

The IUPAC name of 1-tert-butyl-3,5-bis(4-tert-butylphenyl)benzene;2-tert-butyl-1,3-bis(4-tert-butylphenyl)benzene;bis(1-tert-butyl-3,5-dimethylbenzene);2-tert-butyl-1,3-diphenylbenzene;1-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2,3,4,6-tetradeuterio-5-methylbenzene;1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene (CID 164960133) is 1-tert-butyl-3,5-bis(4-tert-butylphenyl)benzene;2-tert-butyl-1,3-bis(4-tert-butylphenyl)benzene;bis(1-tert-butyl-3,5-dimethylbenzene);2-tert-butyl-1,3-diphenylbenzene;1-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2,3,4,6-tetradeuterio-5-methylbenzene;1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene.

What is the SMILES notation for 1-tert-butyl-3,5-bis(4-tert-butylphenyl)benzene;2-tert-butyl-1,3-bis(4-tert-butylphenyl)benzene;bis(1-tert-butyl-3,5-dimethylbenzene);2-tert-butyl-1,3-diphenylbenzene;1-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2,3,4,6-tetradeuterio-5-methylbenzene;1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene?

The canonical SMILES for 1-tert-butyl-3,5-bis(4-tert-butylphenyl)benzene;2-tert-butyl-1,3-bis(4-tert-butylphenyl)benzene;bis(1-tert-butyl-3,5-dimethylbenzene);2-tert-butyl-1,3-diphenylbenzene;1-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2,3,4,6-tetradeuterio-5-methylbenzene;1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene is CC(C)(C)c1c(-c2ccccc2)cccc1-c1ccccc1.CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(C(C)(C)C)c2)cc1.CC(C)(C)c1ccc(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2C(C)(C)C)cc1.Cc1cc(C)cc(C(C)(C)C)c1.Cc1cc(C)cc(C(C)(C)C)c1.[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c(C)c3[2H])c2C(C)(C)C)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccccc2C(C)(C)C)c([2H])c1[2H].

What is the InChIKey of 1-tert-butyl-3,5-bis(4-tert-butylphenyl)benzene;2-tert-butyl-1,3-bis(4-tert-butylphenyl)benzene;bis(1-tert-butyl-3,5-dimethylbenzene);2-tert-butyl-1,3-diphenylbenzene;1-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2,3,4,6-tetradeuterio-5-methylbenzene;1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene?

The InChIKey is BSLRSLCKXPCSBC-IUCKAMHRSA-N. The full InChI is InChI=1S/2C30H38.C23H24.C22H22.C16H18.2C12H18/c1-28(2,3)25-14-10-21(11-15-25)23-18-24(20-27(19-23)30(7,8)9)22-12-16-26(17-13-22)29(4,5)6;1-28(2,3)23-17-13-21(14-18-23)25-11-10-12-26(27(25)30(7,8)9)22-15-19-24(20-16-22)29(4,5)6;1-17-10-8-13-19(16-17)21-15-9-14-20(22(21)23(2,3)4)18-11-6-5-7-12-18;1-22(2,3)21-19(17-11-6-4-7-12-17)15-10-16-20(21)18-13-8-5-9-14-18;1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;2*1-9-6-10(2)8-11(7-9)12(3,4)5/h2*10-20H,1-9H3;5-16H,1-4H3;4-16H,1-3H3;4-12H,1-3H3;2*6-8H,1-5H3/i;;5D,6D,7D,8D,10D,11D,12D,13D,16D;;4D,5D,6D,9D,10D;;.

What are the key properties of 1-tert-butyl-3,5-bis(4-tert-butylphenyl)benzene;2-tert-butyl-1,3-bis(4-tert-butylphenyl)benzene;bis(1-tert-butyl-3,5-dimethylbenzene);2-tert-butyl-1,3-diphenylbenzene;1-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2,3,4,6-tetradeuterio-5-methylbenzene;1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene?

1-tert-butyl-3,5-bis(4-tert-butylphenyl)benzene;2-tert-butyl-1,3-bis(4-tert-butylphenyl)benzene;bis(1-tert-butyl-3,5-dimethylbenzene);2-tert-butyl-1,3-diphenylbenzene;1-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2,3,4,6-tetradeuterio-5-methylbenzene;1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene has a molecular weight of 1933.09 g/mol, XLogP of 42.62, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3,5-bis(4-tert-butylphenyl)benzene;2-tert-butyl-1,3-bis(4-tert-butylphenyl)benzene;bis(1-tert-butyl-3,5-dimethylbenzene);2-tert-butyl-1,3-diphenylbenzene;1-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2,3,4,6-tetradeuterio-5-methylbenzene;1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene is sourced from PubChem (CID 164960133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).