1,2,3,4-tetrakis(4-tert-butyl-2,5-dimethylphenyl)biphenylene

C60H72 — CID 173052655

IUPAC1,2,3,4-tetrakis(4-tert-butyl-2,5-dimethylphenyl)biphenylene
SMILESCc1cc(C(C)(C)C)c(C)cc1-c1c(-c2cc(C)c(C(C)(C)C)cc2C)c(-c2cc(C)c(C(C)(C)C)cc2C)c2c(c1-c1cc(C)c(C(C)(C)C)cc1C)-c1ccccc1-2
InChIInChI=1S/C60H72/c1-33-29-47(57(9,10)11)37(5)25-43(33)53-51-41-23-21-22-24-42(41)52(51)54(44-26-38(6)48(30-34(44)2)58(12,13)14)56(46-28-40(8)50(32-36(46)4)60(18,19)20)55(53)45-27-39(7)49(31-35(45)3)59(15,16)17/h21-32H,1-20H3
InChIKeyYPASSDPNAPEINH-UHFFFAOYSA-N
MW793.24 g/mol
LogP17.66
Rot. Bonds4

About 1,2,3,4-tetrakis(4-tert-butyl-2,5-dimethylphenyl)biphenylene

1,2,3,4-tetrakis(4-tert-butyl-2,5-dimethylphenyl)biphenylene (PubChem CID 173052655) has the molecular formula C60H72 and a molecular weight of 793.24 g/mol. Its IUPAC name is 1,2,3,4-tetrakis(4-tert-butyl-2,5-dimethylphenyl)biphenylene.

Molecular Properties

Compound Name1,2,3,4-tetrakis(4-tert-butyl-2,5-dimethylphenyl)biphenylene
PubChem CID173052655
Molecular FormulaC60H72
Molecular Weight793.24 g/mol
Exact Mass792.56
IUPAC Name1,2,3,4-tetrakis(4-tert-butyl-2,5-dimethylphenyl)biphenylene
SMILESCc1cc(C(C)(C)C)c(C)cc1-c1c(-c2cc(C)c(C(C)(C)C)cc2C)c(-c2cc(C)c(C(C)(C)C)cc2C)c2c(c1-c1cc(C)c(C(C)(C)C)cc1C)-c1ccccc1-2
InChIInChI=1S/C60H72/c1-33-29-47(57(9,10)11)37(5)25-43(33)53-51-41-23-21-22-24-42(41)52(51)54(44-26-38(6)48(30-34(44)2)58(12,13)14)56(46-28-40(8)50(32-36(46)4)60(18,19)20)55(53)45-27-39(7)49(31-35(45)3)59(15,16)17/h21-32H,1-20H3
InChIKeyYPASSDPNAPEINH-UHFFFAOYSA-N
XLogP17.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.24
LogP ≤ 517.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4-tetrakis(4-tert-butyl-2,5-dimethylphenyl)biphenylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrakis(4-tert-butyl-2,5-dimethylphenyl)biphenylene?
The IUPAC name of 1,2,3,4-tetrakis(4-tert-butyl-2,5-dimethylphenyl)biphenylene (CID 173052655) is 1,2,3,4-tetrakis(4-tert-butyl-2,5-dimethylphenyl)biphenylene.
What is the SMILES notation for 1,2,3,4-tetrakis(4-tert-butyl-2,5-dimethylphenyl)biphenylene?
The canonical SMILES for 1,2,3,4-tetrakis(4-tert-butyl-2,5-dimethylphenyl)biphenylene is Cc1cc(C(C)(C)C)c(C)cc1-c1c(-c2cc(C)c(C(C)(C)C)cc2C)c(-c2cc(C)c(C(C)(C)C)cc2C)c2c(c1-c1cc(C)c(C(C)(C)C)cc1C)-c1ccccc1-2.
What is the InChIKey of 1,2,3,4-tetrakis(4-tert-butyl-2,5-dimethylphenyl)biphenylene?
The InChIKey is YPASSDPNAPEINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H72/c1-33-29-47(57(9,10)11)37(5)25-43(33)53-51-41-23-21-22-24-42(41)52(51)54(44-26-38(6)48(30-34(44)2)58(12,13)14)56(46-28-40(8)50(32-36(46)4)60(18,19)20)55(53)45-27-39(7)49(31-35(45)3)59(15,16)17/h21-32H,1-20H3.
What are the key properties of 1,2,3,4-tetrakis(4-tert-butyl-2,5-dimethylphenyl)biphenylene?
1,2,3,4-tetrakis(4-tert-butyl-2,5-dimethylphenyl)biphenylene has a molecular weight of 793.24 g/mol, XLogP of 17.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrakis(4-tert-butyl-2,5-dimethylphenyl)biphenylene is sourced from PubChem (CID 173052655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).