2-cyclohexyl-4-(3-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine

C47H37N3 — CID 171439517

IUPAC2-cyclohexyl-4-(3-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
SMILESc1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(-c2nc(-c3cccc(-c4cccc5ccccc45)c3)nc(C3CCCCC3)n2)c1
InChIInChI=1S/C47H37N3/c1-2-13-36(14-3-1)45-48-46(50-47(49-45)42-20-9-18-40(31-42)44-22-10-16-35-12-6-7-21-43(35)44)41-19-8-17-38(30-41)33-23-25-34(26-24-33)39-28-27-32-11-4-5-15-37(32)29-39/h4-12,15-31,36H,1-3,13-14H2
InChIKeyJLRXURWBQRTBEE-UHFFFAOYSA-N
MW643.83 g/mol
LogP12.56
Rot. Bonds6

About 2-cyclohexyl-4-(3-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine

2-cyclohexyl-4-(3-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 171439517) has the molecular formula C47H37N3 and a molecular weight of 643.83 g/mol. Its IUPAC name is 2-cyclohexyl-4-(3-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexyl-4-(3-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
PubChem CID171439517
Molecular FormulaC47H37N3
Molecular Weight643.83 g/mol
Exact Mass643.30
IUPAC Name2-cyclohexyl-4-(3-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
SMILESc1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(-c2nc(-c3cccc(-c4cccc5ccccc45)c3)nc(C3CCCCC3)n2)c1
InChIInChI=1S/C47H37N3/c1-2-13-36(14-3-1)45-48-46(50-47(49-45)42-20-9-18-40(31-42)44-22-10-16-35-12-6-7-21-43(35)44)41-19-8-17-38(30-41)33-23-25-34(26-24-33)39-28-27-32-11-4-5-15-37(32)29-39/h4-12,15-31,36H,1-3,13-14H2
InChIKeyJLRXURWBQRTBEE-UHFFFAOYSA-N
XLogP12.56
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.83
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexyl-4-(3-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-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-[6-(3-cyclohexyl-5-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 174244255
2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897
2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166022163
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169302485
2-naphthalen-1-yl-4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 165098602
2,4-dinaphthalen-2-yl-6-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 122416036
2,4-dinaphthalen-1-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598334
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
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
2-[3-[3-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3-[3-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-(2-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159368312
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588622
2,4-dinaphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-naphthalen-2-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165099696

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(3-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-cyclohexyl-4-(3-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine (CID 171439517) is 2-cyclohexyl-4-(3-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexyl-4-(3-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-cyclohexyl-4-(3-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine is c1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(-c2nc(-c3cccc(-c4cccc5ccccc45)c3)nc(C3CCCCC3)n2)c1.
What is the InChIKey of 2-cyclohexyl-4-(3-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is JLRXURWBQRTBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H37N3/c1-2-13-36(14-3-1)45-48-46(50-47(49-45)42-20-9-18-40(31-42)44-22-10-16-35-12-6-7-21-43(35)44)41-19-8-17-38(30-41)33-23-25-34(26-24-33)39-28-27-32-11-4-5-15-37(32)29-39/h4-12,15-31,36H,1-3,13-14H2.
What are the key properties of 2-cyclohexyl-4-(3-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine?
2-cyclohexyl-4-(3-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 643.83 g/mol, XLogP of 12.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(3-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 171439517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).