1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole

C56H37N5 — CID 170441473

About 1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole

1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole (PubChem CID 170441473) has the molecular formula C56H37N5 and a molecular weight of 779.95 g/mol. Its IUPAC name is 1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole.

Molecular Properties

• Compound Name: 1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
• PubChem CID: 170441473
• Molecular Formula: C56H37N5
• Molecular Weight: 779.95 g/mol
• Exact Mass: 779.30
• IUPAC Name: 1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5cc(-c5ccccc5)c5c(-c7ccccc7)nn(-c7ccccc7)c56)cc4)n3)cc2)cc1
• InChI: InChI=1S/C56H37N5/c1-6-17-38(18-7-1)39-29-33-44(34-30-39)55-57-54(43-23-12-4-13-24-43)58-56(59-55)45-35-31-41(32-36-45)47-27-16-28-48-50(47)37-49(40-19-8-2-9-20-40)51-52(42-21-10-3-11-22-42)60-61(53(48)51)46-25-14-5-15-26-46/h1-37H
• InChIKey: UGEPCRZLQKSCNG-UHFFFAOYSA-N
• XLogP: 14.03
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.95
LogP ≤ 5	14.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole?

The IUPAC name of 1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole (CID 170441473) is 1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole.

What is the SMILES notation for 1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole?

The canonical SMILES for 1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5cc(-c5ccccc5)c5c(-c7ccccc7)nn(-c7ccccc7)c56)cc4)n3)cc2)cc1.

What is the InChIKey of 1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole?

The InChIKey is UGEPCRZLQKSCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N5/c1-6-17-38(18-7-1)39-29-33-44(34-30-39)55-57-54(43-23-12-4-13-24-43)58-56(59-55)45-35-31-41(32-36-45)47-27-16-28-48-50(47)37-49(40-19-8-2-9-20-40)51-52(42-21-10-3-11-22-42)60-61(53(48)51)46-25-14-5-15-26-46/h1-37H.

What are the key properties of 1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole?

1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole has a molecular weight of 779.95 g/mol, XLogP of 14.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole is sourced from PubChem (CID 170441473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).