9-[3-[4-naphthalen-2-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole

C53H34N4 — CID 177283132

About 9-[3-[4-naphthalen-2-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole

9-[3-[4-naphthalen-2-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 177283132) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 9-[3-[4-naphthalen-2-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[4-naphthalen-2-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 177283132
• Molecular Formula: C53H34N4
• Molecular Weight: 726.88 g/mol
• Exact Mass: 726.28
• IUPAC Name: 9-[3-[4-naphthalen-2-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: c1ccc(-c2cccc3cccc(-c4ccc(-c5nc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)nc(-c6ccc7ccccc7c6)n5)cc4)c23)cc1
• InChI: InChI=1S/C53H34N4/c1-2-14-36(15-3-1)44-23-11-17-38-18-12-24-45(50(38)44)37-28-30-39(31-29-37)51-54-52(56-53(55-51)42-32-27-35-13-4-5-16-40(35)33-42)41-19-10-20-43(34-41)57-48-25-8-6-21-46(48)47-22-7-9-26-49(47)57/h1-34H
• InChIKey: JQPHIMOHCPQYQH-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-[3-[4-naphthalen-2-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

The IUPAC name of 9-[3-[4-naphthalen-2-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole (CID 177283132) is 9-[3-[4-naphthalen-2-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole.

What is the SMILES notation for 9-[3-[4-naphthalen-2-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

The canonical SMILES for 9-[3-[4-naphthalen-2-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2cccc3cccc(-c4ccc(-c5nc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)nc(-c6ccc7ccccc7c6)n5)cc4)c23)cc1.

What is the InChIKey of 9-[3-[4-naphthalen-2-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

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

What are the key properties of 9-[3-[4-naphthalen-2-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

9-[3-[4-naphthalen-2-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]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-[3-[4-naphthalen-2-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 177283132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).