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

C51H32N4 — CID 166916820

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

5-[1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole (PubChem CID 166916820) has the molecular formula C51H32N4 and a molecular weight of 700.85 g/mol. Its IUPAC name is 5-[1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
• PubChem CID: 166916820
• Molecular Formula: C51H32N4
• Molecular Weight: 700.85 g/mol
• Exact Mass: 700.26
• IUPAC Name: 5-[1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3c(-n4c5ccccc5c5cc6ccccc6cc54)ccc4ccccc34)n2)cc1
• InChI: InChI=1S/C51H32N4/c1-2-14-36(15-3-1)49-52-50(37-25-22-34(23-26-37)41-27-24-33-12-4-5-16-38(33)30-41)54-51(53-49)48-42-19-9-8-13-35(42)28-29-46(48)55-45-21-11-10-20-43(45)44-31-39-17-6-7-18-40(39)32-47(44)55/h1-32H
• InChIKey: FHERWNQAXWYOGB-UHFFFAOYSA-N
• XLogP: 13.10
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.85
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-[1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole (CID 166916820) is 5-[1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3c(-n4c5ccccc5c5cc6ccccc6cc54)ccc4ccccc34)n2)cc1.

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

The InChIKey is FHERWNQAXWYOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4/c1-2-14-36(15-3-1)49-52-50(37-25-22-34(23-26-37)41-27-24-33-12-4-5-16-38(33)30-41)54-51(53-49)48-42-19-9-8-13-35(42)28-29-46(48)55-45-21-11-10-20-43(45)44-31-39-17-6-7-18-40(39)32-47(44)55/h1-32H.

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

5-[1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole has a molecular weight of 700.85 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole is sourced from PubChem (CID 166916820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).