4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine

C30H32N2 — CID 170196288

IUPAC4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
SMILESCC(C)(C)c1ccnc(-c2cccc(-c3cc(C(C)(C)C)cc(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C30H32N2/c1-29(2,3)24-15-16-31-26(18-24)22-13-10-14-23(17-22)28-20-25(30(4,5)6)19-27(32-28)21-11-8-7-9-12-21/h7-20H,1-6H3
InChIKeyXOIWCGAGHJTTKZ-UHFFFAOYSA-N
MW420.60 g/mol
LogP8.07
Rot. Bonds3

About 4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine

4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine (PubChem CID 170196288) has the molecular formula C30H32N2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine.

Molecular Properties

Compound Name4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
PubChem CID170196288
Molecular FormulaC30H32N2
Molecular Weight420.60 g/mol
Exact Mass420.26
IUPAC Name4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
SMILESCC(C)(C)c1ccnc(-c2cccc(-c3cc(C(C)(C)C)cc(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C30H32N2/c1-29(2,3)24-15-16-31-26(18-24)22-13-10-14-23(17-22)28-20-25(30(4,5)6)19-27(32-28)21-11-8-7-9-12-21/h7-20H,1-6H3
InChIKeyXOIWCGAGHJTTKZ-UHFFFAOYSA-N
XLogP8.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine with MolForge

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

Launch Full Analysis

Related Compounds

tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine
CID 167252790
1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-9H-carbazole
CID 140902310
2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 15827510
1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-9H-carbazole
CID 140902425
5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline
CID 171751604
2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol
CID 167332357
8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)-2-phenylquinoline
CID 171751766
3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]isoquinoline
CID 153428756
1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-3,6-diphenyl-8-(4-phenyl-2-pyridinyl)-9H-carbazole
CID 140902266
2-[3-[4,6-bis[3-(3,5-ditert-butylphenyl)phenyl]-2-pyridinyl]phenyl]pyrazine
CID 164834142
2-[6-[3-(4-tert-butyl-2-pyridinyl)phenyl]-4-(2-indol-1-ylphenyl)-2-pyridinyl]phenol
CID 167253461

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine?
The IUPAC name of 4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine (CID 170196288) is 4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine.
What is the SMILES notation for 4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine?
The canonical SMILES for 4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine is CC(C)(C)c1ccnc(-c2cccc(-c3cc(C(C)(C)C)cc(-c4ccccc4)n3)c2)c1.
What is the InChIKey of 4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine?
The InChIKey is XOIWCGAGHJTTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2/c1-29(2,3)24-15-16-31-26(18-24)22-13-10-14-23(17-22)28-20-25(30(4,5)6)19-27(32-28)21-11-8-7-9-12-21/h7-20H,1-6H3.
What are the key properties of 4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine?
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine has a molecular weight of 420.60 g/mol, XLogP of 8.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine is sourced from PubChem (CID 170196288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).