7-[2-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole

C53H34N4 — CID 167032390

About 7-[2-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole

7-[2-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole (PubChem CID 167032390) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 7-[2-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole.

Molecular Properties

• Compound Name: 7-[2-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
• PubChem CID: 167032390
• Molecular Formula: C53H34N4
• Molecular Weight: 726.88 g/mol
• Exact Mass: 726.28
• IUPAC Name: 7-[2-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3ccc(-c4ccccc4-n4c5ccccc5c5c6ccccc6ccc54)cc3)n2)cc1
• InChI: InChI=1S/C53H34N4/c1-2-14-39(15-3-1)51-54-52(40-27-22-36(23-28-40)43-31-24-35-12-4-5-16-42(35)34-43)56-53(55-51)41-29-25-38(26-30-41)44-17-8-10-20-47(44)57-48-21-11-9-19-46(48)50-45-18-7-6-13-37(45)32-33-49(50)57/h1-34H
• InChIKey: SECADFNHZRCLHC-UHFFFAOYSA-N
• XLogP: 13.61
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.88
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole?

The IUPAC name of 7-[2-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole (CID 167032390) is 7-[2-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole.

What is the SMILES notation for 7-[2-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole?

The canonical SMILES for 7-[2-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole is c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3ccc(-c4ccccc4-n4c5ccccc5c5c6ccccc6ccc54)cc3)n2)cc1.

What is the InChIKey of 7-[2-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole?

The InChIKey is SECADFNHZRCLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4/c1-2-14-39(15-3-1)51-54-52(40-27-22-36(23-28-40)43-31-24-35-12-4-5-16-42(35)34-43)56-53(55-51)41-29-25-38(26-30-41)44-17-8-10-20-47(44)57-48-21-11-9-19-46(48)50-45-18-7-6-13-37(45)32-33-49(50)57/h1-34H.

What are the key properties of 7-[2-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole?

7-[2-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole has a molecular weight of 726.88 g/mol, XLogP of 13.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole is sourced from PubChem (CID 167032390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).