2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine

C55H35N3 — CID 177076845

IUPAC2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2cccc3c(-c4nc(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)nc(-c5cccc6cccc(-c7ccccc7)c56)n4)cccc23)cc1
InChIInChI=1S/C55H35N3/c1-3-14-36(15-4-1)45-24-12-27-49-48(45)26-13-28-50(49)54-56-53(57-55(58-54)51-29-11-21-39-20-10-25-47(52(39)51)38-16-5-2-6-17-38)43-33-31-40-34-42(32-30-41(40)35-43)46-23-9-19-37-18-7-8-22-44(37)46/h1-35H
InChIKeyIAHZPUPKQXOVJI-UHFFFAOYSA-N
MW737.91 g/mol
LogP14.49
Rot. Bonds6

About 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine

2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 177076845) has the molecular formula C55H35N3 and a molecular weight of 737.91 g/mol. Its IUPAC name is 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID177076845
Molecular FormulaC55H35N3
Molecular Weight737.91 g/mol
Exact Mass737.28
IUPAC Name2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2cccc3c(-c4nc(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)nc(-c5cccc6cccc(-c7ccccc7)c56)n4)cccc23)cc1
InChIInChI=1S/C55H35N3/c1-3-14-36(15-4-1)45-24-12-27-49-48(45)26-13-28-50(49)54-56-53(57-55(58-54)51-29-11-21-39-20-10-25-47(52(39)51)38-16-5-2-6-17-38)43-33-31-40-34-42(32-30-41(40)35-43)46-23-9-19-37-18-7-8-22-44(37)46/h1-35H
InChIKeyIAHZPUPKQXOVJI-UHFFFAOYSA-N
XLogP14.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.91
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine 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

2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076868
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-[2-(2-naphthalen-1-ylphenyl)phenyl]-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076866
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588622
2-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180017
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(8-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine
CID 177076732
2-naphthalen-1-yl-4-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244397
2,4-dinaphthalen-1-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598334
2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 174244399
2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897
2-(4-naphthalen-2-ylnaphthalen-1-yl)-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076782

Frequently Asked Questions

What is the IUPAC name of 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine (CID 177076845) is 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine is c1ccc(-c2cccc3c(-c4nc(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)nc(-c5cccc6cccc(-c7ccccc7)c56)n4)cccc23)cc1.
What is the InChIKey of 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is IAHZPUPKQXOVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3/c1-3-14-36(15-4-1)45-24-12-27-49-48(45)26-13-28-50(49)54-56-53(57-55(58-54)51-29-11-21-39-20-10-25-47(52(39)51)38-16-5-2-6-17-38)43-33-31-40-34-42(32-30-41(40)35-43)46-23-9-19-37-18-7-8-22-44(37)46/h1-35H.
What are the key properties of 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine?
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 737.91 g/mol, XLogP of 14.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 177076845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).