9-[2-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)phenyl]carbazole

C53H34N4 — CID 170658935

About 9-[2-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)phenyl]carbazole

9-[2-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)phenyl]carbazole (PubChem CID 170658935) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 9-[2-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[2-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)phenyl]carbazole
• PubChem CID: 170658935
• Molecular Formula: C53H34N4
• Molecular Weight: 726.88 g/mol
• Exact Mass: 726.28
• IUPAC Name: 9-[2-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)phenyl]carbazole
• SMILES: c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6ccccc56)n4)c(-n4c5ccccc5c5ccccc54)c3)c2)cc1
• InChI: InChI=1S/C53H34N4/c1-2-14-35(15-3-1)39-20-12-21-40(32-39)41-30-31-47(50(34-41)57-48-26-10-8-23-44(48)45-24-9-11-27-49(45)57)53-55-51(42-29-28-36-16-4-5-18-38(36)33-42)54-52(56-53)46-25-13-19-37-17-6-7-22-43(37)46/h1-34H
• InChIKey: AUWWZIGSVVYHKC-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 9-[2-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)phenyl]carbazole?

The IUPAC name of 9-[2-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)phenyl]carbazole (CID 170658935) is 9-[2-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)phenyl]carbazole.

What is the SMILES notation for 9-[2-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)phenyl]carbazole?

The canonical SMILES for 9-[2-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)phenyl]carbazole is c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6ccccc56)n4)c(-n4c5ccccc5c5ccccc54)c3)c2)cc1.

What is the InChIKey of 9-[2-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)phenyl]carbazole?

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

What are the key properties of 9-[2-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)phenyl]carbazole?

9-[2-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)phenyl]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 9-[2-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 170658935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).