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

C49H32N4 — CID 155474221

About 11-phenyl-5-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole

11-phenyl-5-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole (PubChem CID 155474221) has the molecular formula C49H32N4 and a molecular weight of 676.82 g/mol. Its IUPAC name is 11-phenyl-5-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole.

Molecular Properties

• Compound Name: 11-phenyl-5-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
• PubChem CID: 155474221
• Molecular Formula: C49H32N4
• Molecular Weight: 676.82 g/mol
• Exact Mass: 676.26
• IUPAC Name: 11-phenyl-5-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4ccccc4)nc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5ccccc45)n3)c2)cc1
• InChI: InChI=1S/C49H32N4/c1-4-17-33(18-5-1)35-21-16-22-36(31-35)47-50-48(42-29-13-10-25-38(42)34-19-6-2-7-20-34)52-49(51-47)44-32-43-40-27-14-15-30-45(40)53(37-23-8-3-9-24-37)46(43)41-28-12-11-26-39(41)44/h1-32H
• InChIKey: NNSHJDYDFXQERZ-UHFFFAOYSA-N
• XLogP: 12.46
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.82
LogP ≤ 5	12.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 11-phenyl-5-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole (CID 155474221) is 11-phenyl-5-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole.

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

The canonical SMILES for 11-phenyl-5-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4ccccc4)nc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5ccccc45)n3)c2)cc1.

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

The InChIKey is NNSHJDYDFXQERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4/c1-4-17-33(18-5-1)35-21-16-22-36(31-35)47-50-48(42-29-13-10-25-38(42)34-19-6-2-7-20-34)52-49(51-47)44-32-43-40-27-14-15-30-45(40)53(37-23-8-3-9-24-37)46(43)41-28-12-11-26-39(41)44/h1-32H.

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

11-phenyl-5-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole has a molecular weight of 676.82 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-phenyl-5-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole is sourced from PubChem (CID 155474221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).