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

C57H36N4 — CID 155450393

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

5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(3-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 155450393) has the molecular formula C57H36N4 and a molecular weight of 776.94 g/mol. Its IUPAC name is 5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(3-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(3-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole
• PubChem CID: 155450393
• Molecular Formula: C57H36N4
• Molecular Weight: 776.94 g/mol
• Exact Mass: 776.29
• IUPAC Name: 5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(3-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2cccc(-c3ccc4c(-n5c6ccccc6c6cc7ccccc7cc65)ccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c4c3)c2)cc1
• InChI: InChI=1S/C57H36N4/c1-3-14-37(15-4-1)41-22-13-23-42(32-41)45-28-29-48-50(34-45)49(30-31-53(48)61-52-25-12-11-24-47(52)51-35-43-20-9-10-21-44(43)36-54(51)61)57-59-55(39-17-5-2-6-18-39)58-56(60-57)46-27-26-38-16-7-8-19-40(38)33-46/h1-36H
• InChIKey: VGQUNLUKDVJIOG-UHFFFAOYSA-N
• XLogP: 14.76
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.94
LogP ≤ 5	14.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(3-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole (CID 155450393) is 5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(3-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(3-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole is c1ccc(-c2cccc(-c3ccc4c(-n5c6ccccc6c6cc7ccccc7cc65)ccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c4c3)c2)cc1.

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

The InChIKey is VGQUNLUKDVJIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4/c1-3-14-37(15-4-1)41-22-13-23-42(32-41)45-28-29-48-50(34-45)49(30-31-53(48)61-52-25-12-11-24-47(52)51-35-43-20-9-10-21-44(43)36-54(51)61)57-59-55(39-17-5-2-6-18-39)58-56(60-57)46-27-26-38-16-7-8-19-40(38)33-46/h1-36H.

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

5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(3-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 776.94 g/mol, XLogP of 14.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(3-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 155450393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).