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

C61H37N5 — CID 155477392

About 8-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole

8-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole (PubChem CID 155477392) has the molecular formula C61H37N5 and a molecular weight of 840.00 g/mol. Its IUPAC name is 8-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 8-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole
• PubChem CID: 155477392
• Molecular Formula: C61H37N5
• Molecular Weight: 840.00 g/mol
• Exact Mass: 839.30
• IUPAC Name: 8-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-n4c5ccccc5c5cc6ccc(-n7c8ccccc8c8cc9ccccc9cc87)cc6cc54)cc4ccccc34)n2)cc1
• InChI: InChI=1S/C61H37N5/c1-2-15-39(16-3-1)59-62-60(45-27-26-38-14-4-5-17-40(38)30-45)64-61(63-59)54-37-48(31-44-20-8-9-21-49(44)54)66-56-25-13-11-23-51(56)53-34-43-28-29-47(32-46(43)36-58(53)66)65-55-24-12-10-22-50(55)52-33-41-18-6-7-19-42(41)35-57(52)65/h1-37H
• InChIKey: YQPFBBIYIIZGLO-UHFFFAOYSA-N
• XLogP: 15.68
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.00
LogP ≤ 5	15.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole?

The IUPAC name of 8-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole (CID 155477392) is 8-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole.

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

The canonical SMILES for 8-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-n4c5ccccc5c5cc6ccc(-n7c8ccccc8c8cc9ccccc9cc87)cc6cc54)cc4ccccc34)n2)cc1.

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

The InChIKey is YQPFBBIYIIZGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N5/c1-2-15-39(16-3-1)59-62-60(45-27-26-38-14-4-5-17-40(38)30-45)64-61(63-59)54-37-48(31-44-20-8-9-21-49(44)54)66-56-25-13-11-23-51(56)53-34-43-28-29-47(32-46(43)36-58(53)66)65-55-24-12-10-22-50(55)52-33-41-18-6-7-19-42(41)35-57(52)65/h1-37H.

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

8-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole has a molecular weight of 840.00 g/mol, XLogP of 15.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole is sourced from PubChem (CID 155477392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).