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

C57H35N5 — CID 155477254

About 11-carbazol-9-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole

11-carbazol-9-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 155477254) has the molecular formula C57H35N5 and a molecular weight of 789.94 g/mol. Its IUPAC name is 11-carbazol-9-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 11-carbazol-9-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
• PubChem CID: 155477254
• Molecular Formula: C57H35N5
• Molecular Weight: 789.94 g/mol
• Exact Mass: 789.29
• IUPAC Name: 11-carbazol-9-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)c6ccccc6cc54)c4ccccc34)n2)cc1
• InChI: InChI=1S/C57H35N5/c1-2-18-37(19-3-1)55-58-56(45-29-16-21-36-17-4-6-22-39(36)45)60-57(59-55)46-33-34-51(42-25-9-8-24-41(42)46)61-50-32-15-12-28-47(50)53-52(61)35-38-20-5-7-23-40(38)54(53)62-48-30-13-10-26-43(48)44-27-11-14-31-49(44)62/h1-35H
• InChIKey: ZOFWGJNRFKLIRD-UHFFFAOYSA-N
• XLogP: 14.53
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.94
LogP ≤ 5	14.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 11-carbazol-9-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

The IUPAC name of 11-carbazol-9-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole (CID 155477254) is 11-carbazol-9-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

What is the SMILES notation for 11-carbazol-9-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

The canonical SMILES for 11-carbazol-9-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)c6ccccc6cc54)c4ccccc34)n2)cc1.

What is the InChIKey of 11-carbazol-9-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

The InChIKey is ZOFWGJNRFKLIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5/c1-2-18-37(19-3-1)55-58-56(45-29-16-21-36-17-4-6-22-39(36)45)60-57(59-55)46-33-34-51(42-25-9-8-24-41(42)46)61-50-32-15-12-28-47(50)53-52(61)35-38-20-5-7-23-40(38)54(53)62-48-30-13-10-26-43(48)44-27-11-14-31-49(44)62/h1-35H.

What are the key properties of 11-carbazol-9-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

11-carbazol-9-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 789.94 g/mol, XLogP of 14.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-carbazol-9-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 155477254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).