4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline

C57H37N5 — CID 170025825

IUPAC4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc6ccccc56)c4-c4ccc(-c5nc(-c6ccccc6)nc6ccccc56)cc4)cc3)n2)cc1
InChIInChI=1S/C57H37N5/c1-4-17-42(18-5-1)54-58-51-29-13-12-25-50(51)53(59-54)41-34-32-40(33-35-41)52-47(26-15-28-49(52)48-27-14-23-38-16-10-11-24-46(38)48)39-30-36-45(37-31-39)57-61-55(43-19-6-2-7-20-43)60-56(62-57)44-21-8-3-9-22-44/h1-37H
InChIKeyYYQNESDYOPRISJ-UHFFFAOYSA-N
MW791.96 g/mol
LogP14.30
Rot. Bonds8

About 4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline

4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline (PubChem CID 170025825) has the molecular formula C57H37N5 and a molecular weight of 791.96 g/mol. Its IUPAC name is 4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline.

Molecular Properties

Compound Name4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline
PubChem CID170025825
Molecular FormulaC57H37N5
Molecular Weight791.96 g/mol
Exact Mass791.30
IUPAC Name4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc6ccccc56)c4-c4ccc(-c5nc(-c6ccccc6)nc6ccccc56)cc4)cc3)n2)cc1
InChIInChI=1S/C57H37N5/c1-4-17-42(18-5-1)54-58-51-29-13-12-25-50(51)53(59-54)41-34-32-40(33-35-41)52-47(26-15-28-49(52)48-27-14-23-38-16-10-11-24-46(38)48)39-30-36-45(37-31-39)57-61-55(43-19-6-2-7-20-43)60-56(62-57)44-21-8-3-9-22-44/h1-37H
InChIKeyYYQNESDYOPRISJ-UHFFFAOYSA-N
XLogP14.30
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.96
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]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

Related Compounds

4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 147782401
2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297409
4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline
CID 163860497
4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline
CID 122487442
4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 162490340
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665212
2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline
CID 118487412
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 155105161

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline?
The IUPAC name of 4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline (CID 170025825) is 4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline.
What is the SMILES notation for 4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline?
The canonical SMILES for 4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc6ccccc56)c4-c4ccc(-c5nc(-c6ccccc6)nc6ccccc56)cc4)cc3)n2)cc1.
What is the InChIKey of 4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline?
The InChIKey is YYQNESDYOPRISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5/c1-4-17-42(18-5-1)54-58-51-29-13-12-25-50(51)53(59-54)41-34-32-40(33-35-41)52-47(26-15-28-49(52)48-27-14-23-38-16-10-11-24-46(38)48)39-30-36-45(37-31-39)57-61-55(43-19-6-2-7-20-43)60-56(62-57)44-21-8-3-9-22-44/h1-37H.
What are the key properties of 4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline?
4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline has a molecular weight of 791.96 g/mol, XLogP of 14.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline is sourced from PubChem (CID 170025825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).