9-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole

C53H33N5 — CID 155477477

About 9-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole

9-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole (PubChem CID 155477477) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 9-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 9-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole
• PubChem CID: 155477477
• Molecular Formula: C53H33N5
• Molecular Weight: 739.88 g/mol
• Exact Mass: 739.27
• IUPAC Name: 9-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5cc6cc(-n7c8ccccc8c8ccccc87)ccc6cc54)ccc4ccccc34)n2)cc1
• InChI: InChI=1S/C53H33N5/c1-3-16-35(17-4-1)51-54-52(36-18-5-2-6-19-36)56-53(55-51)50-40-20-8-7-15-34(40)28-30-48(50)58-47-26-14-11-23-43(47)44-32-38-31-39(29-27-37(38)33-49(44)58)57-45-24-12-9-21-41(45)42-22-10-13-25-46(42)57/h1-33H
• InChIKey: NWFSHAFOYKYOMF-UHFFFAOYSA-N
• XLogP: 13.37
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.88
LogP ≤ 5	13.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole?

The IUPAC name of 9-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole (CID 155477477) is 9-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole.

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

The canonical SMILES for 9-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5cc6cc(-n7c8ccccc8c8ccccc87)ccc6cc54)ccc4ccccc34)n2)cc1.

What is the InChIKey of 9-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole?

The InChIKey is NWFSHAFOYKYOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-3-16-35(17-4-1)51-54-52(36-18-5-2-6-19-36)56-53(55-51)50-40-20-8-7-15-34(40)28-30-48(50)58-47-26-14-11-23-43(47)44-32-38-31-39(29-27-37(38)33-49(44)58)57-45-24-12-9-21-41(45)42-22-10-13-25-46(42)57/h1-33H.

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

9-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole has a molecular weight of 739.88 g/mol, XLogP of 13.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole is sourced from PubChem (CID 155477477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).