2-[3-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

C57H39N3O — CID 168803032

About 2-[3-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

2-[3-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 168803032) has the molecular formula C57H39N3O and a molecular weight of 781.96 g/mol. Its IUPAC name is 2-[3-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 168803032
• Molecular Formula: C57H39N3O
• Molecular Weight: 781.96 g/mol
• Exact Mass: 781.31
• IUPAC Name: 2-[3-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
• SMILES: CC1(c2ccccc2)Oc2cc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6cccc7ccccc67)cc5)n4)c3)ccc2-c2ccccc21
• InChI: InChI=1S/C57H39N3O/c1-57(47-20-6-3-7-21-47)52-25-11-10-23-50(52)51-35-34-45(37-53(51)61-57)44-18-12-19-46(36-44)56-59-54(42-30-26-39(27-31-42)38-14-4-2-5-15-38)58-55(60-56)43-32-28-41(29-33-43)49-24-13-17-40-16-8-9-22-48(40)49/h2-37H,1H3
• InChIKey: FHRPSCAONLHJGU-UHFFFAOYSA-N
• XLogP: 14.35
• TPSA: 47.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.96
LogP ≤ 5	14.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-[3-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 168803032) is 2-[3-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-[3-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-[3-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is CC1(c2ccccc2)Oc2cc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6cccc7ccccc67)cc5)n4)c3)ccc2-c2ccccc21.

What is the InChIKey of 2-[3-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?

The InChIKey is FHRPSCAONLHJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3O/c1-57(47-20-6-3-7-21-47)52-25-11-10-23-50(52)51-35-34-45(37-53(51)61-57)44-18-12-19-46(36-44)56-59-54(42-30-26-39(27-31-42)38-14-4-2-5-15-38)58-55(60-56)43-32-28-41(29-33-43)49-24-13-17-40-16-8-9-22-48(40)49/h2-37H,1H3.

What are the key properties of 2-[3-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?

2-[3-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 781.96 g/mol, XLogP of 14.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 168803032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).