4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2-phenylquinazoline

C36H26N4 — CID 67965678

IUPAC4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2-phenylquinazoline
SMILESCc1cc(-c2nc(-c3ccccc3)nc3ccccc23)c(C)cc1-c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C36H26N4/c1-23-21-30(34-28-18-10-12-20-32(28)38-36(40-34)26-15-7-4-8-16-26)24(2)22-29(23)33-27-17-9-11-19-31(27)37-35(39-33)25-13-5-3-6-14-25/h3-22H,1-2H3
InChIKeyHERHXAWZNGETCY-UHFFFAOYSA-N
MW514.63 g/mol
LogP8.86
Rot. Bonds4

About 4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2-phenylquinazoline

4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2-phenylquinazoline (PubChem CID 67965678) has the molecular formula C36H26N4 and a molecular weight of 514.63 g/mol. Its IUPAC name is 4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2-phenylquinazoline.

Molecular Properties

Compound Name4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2-phenylquinazoline
PubChem CID67965678
Molecular FormulaC36H26N4
Molecular Weight514.63 g/mol
Exact Mass514.22
IUPAC Name4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2-phenylquinazoline
SMILESCc1cc(-c2nc(-c3ccccc3)nc3ccccc23)c(C)cc1-c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C36H26N4/c1-23-21-30(34-28-18-10-12-20-32(28)38-36(40-34)26-15-7-4-8-16-26)24(2)22-29(23)33-27-17-9-11-19-31(27)37-35(39-33)25-13-5-3-6-14-25/h3-22H,1-2H3
InChIKeyHERHXAWZNGETCY-UHFFFAOYSA-N
XLogP8.86
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2-phenylquinazoline 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 4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2-phenylquinazoline?
The IUPAC name of 4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2-phenylquinazoline (CID 67965678) is 4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2-phenylquinazoline.
What is the SMILES notation for 4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2-phenylquinazoline?
The canonical SMILES for 4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2-phenylquinazoline is Cc1cc(-c2nc(-c3ccccc3)nc3ccccc23)c(C)cc1-c1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2-phenylquinazoline?
The InChIKey is HERHXAWZNGETCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4/c1-23-21-30(34-28-18-10-12-20-32(28)38-36(40-34)26-15-7-4-8-16-26)24(2)22-29(23)33-27-17-9-11-19-31(27)37-35(39-33)25-13-5-3-6-14-25/h3-22H,1-2H3.
What are the key properties of 4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2-phenylquinazoline?
4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2-phenylquinazoline has a molecular weight of 514.63 g/mol, XLogP of 8.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2-phenylquinazoline is sourced from PubChem (CID 67965678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).