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

C51H32N4 — CID 167031981

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

7-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole (PubChem CID 167031981) has the molecular formula C51H32N4 and a molecular weight of 700.85 g/mol. Its IUPAC name is 7-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole.

Molecular Properties

• Compound Name: 7-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole
• PubChem CID: 167031981
• Molecular Formula: C51H32N4
• Molecular Weight: 700.85 g/mol
• Exact Mass: 700.26
• IUPAC Name: 7-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cc(-n4c5ccccc5c5c6ccccc6ccc54)c4ccccc4c3)n2)cc1
• InChI: InChI=1S/C51H32N4/c1-2-14-36(15-3-1)49-52-50(37-25-22-34(23-26-37)39-27-24-33-12-4-5-16-38(33)30-39)54-51(53-49)41-31-40-17-7-8-18-42(40)47(32-41)55-45-21-11-10-20-44(45)48-43-19-9-6-13-35(43)28-29-46(48)55/h1-32H
• InChIKey: NQAYUSLLIGRWEF-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 7-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole?

The IUPAC name of 7-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole (CID 167031981) is 7-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole.

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

The canonical SMILES for 7-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole is c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cc(-n4c5ccccc5c5c6ccccc6ccc54)c4ccccc4c3)n2)cc1.

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

The InChIKey is NQAYUSLLIGRWEF-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)39-27-24-33-12-4-5-16-38(33)30-39)54-51(53-49)41-31-40-17-7-8-18-42(40)47(32-41)55-45-21-11-10-20-44(45)48-43-19-9-6-13-35(43)28-29-46(48)55/h1-32H.

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

7-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]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 7-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole is sourced from PubChem (CID 167031981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).