12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-7-(3-phenylphenyl)indolo[3,2-a]carbazole;prop-1-ene

C54H39N5 — CID 142315095

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-7-(3-phenylphenyl)indolo[3,2-a]carbazole;prop-1-ene

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-7-(3-phenylphenyl)indolo[3,2-a]carbazole;prop-1-ene (PubChem CID 142315095) has the molecular formula C54H39N5 and a molecular weight of 757.94 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-7-(3-phenylphenyl)indolo[3,2-a]carbazole;prop-1-ene.

Molecular Properties

• Compound Name: 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-7-(3-phenylphenyl)indolo[3,2-a]carbazole;prop-1-ene
• PubChem CID: 142315095
• Molecular Formula: C54H39N5
• Molecular Weight: 757.94 g/mol
• Exact Mass: 757.32
• IUPAC Name: 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-7-(3-phenylphenyl)indolo[3,2-a]carbazole;prop-1-ene
• SMILES: C=CC.c1ccc(-c2cccc(-c3cc4c(c5ccccc5n4-c4ccccc4)c4c3c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
• InChI: InChI=1S/C51H33N5.C3H6/c1-5-18-34(19-6-1)37-24-17-25-38(32-37)42-33-45-47(41-29-14-15-30-43(41)55(45)39-26-11-4-12-27-39)48-46(42)40-28-13-16-31-44(40)56(48)51-53-49(35-20-7-2-8-21-35)52-50(54-51)36-22-9-3-10-23-36;1-3-2/h1-33H;3H,1H2,2H3
• InChIKey: YCFWYFNQLJSWOH-UHFFFAOYSA-N
• XLogP: 13.93
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.94
LogP ≤ 5	13.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-7-(3-phenylphenyl)indolo[3,2-a]carbazole;prop-1-ene?

The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-7-(3-phenylphenyl)indolo[3,2-a]carbazole;prop-1-ene (CID 142315095) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-7-(3-phenylphenyl)indolo[3,2-a]carbazole;prop-1-ene.

What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-7-(3-phenylphenyl)indolo[3,2-a]carbazole;prop-1-ene?

The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-7-(3-phenylphenyl)indolo[3,2-a]carbazole;prop-1-ene is C=CC.c1ccc(-c2cccc(-c3cc4c(c5ccccc5n4-c4ccccc4)c4c3c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.

What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-7-(3-phenylphenyl)indolo[3,2-a]carbazole;prop-1-ene?

The InChIKey is YCFWYFNQLJSWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5.C3H6/c1-5-18-34(19-6-1)37-24-17-25-38(32-37)42-33-45-47(41-29-14-15-30-43(41)55(45)39-26-11-4-12-27-39)48-46(42)40-28-13-16-31-44(40)56(48)51-53-49(35-20-7-2-8-21-35)52-50(54-51)36-22-9-3-10-23-36;1-3-2/h1-33H;3H,1H2,2H3.

What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-7-(3-phenylphenyl)indolo[3,2-a]carbazole;prop-1-ene?

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-7-(3-phenylphenyl)indolo[3,2-a]carbazole;prop-1-ene has a molecular weight of 757.94 g/mol, XLogP of 13.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-7-(3-phenylphenyl)indolo[3,2-a]carbazole;prop-1-ene is sourced from PubChem (CID 142315095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).