4-(5-phenylindolo[3,2-c]carbazol-12-yl)-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]aniline

C51H34N6 — CID 139303580

About 4-(5-phenylindolo[3,2-c]carbazol-12-yl)-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]aniline

4-(5-phenylindolo[3,2-c]carbazol-12-yl)-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]aniline (PubChem CID 139303580) has the molecular formula C51H34N6 and a molecular weight of 730.88 g/mol. Its IUPAC name is 4-(5-phenylindolo[3,2-c]carbazol-12-yl)-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]aniline.

Molecular Properties

• Compound Name: 4-(5-phenylindolo[3,2-c]carbazol-12-yl)-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]aniline
• PubChem CID: 139303580
• Molecular Formula: C51H34N6
• Molecular Weight: 730.88 g/mol
• Exact Mass: 730.28
• IUPAC Name: 4-(5-phenylindolo[3,2-c]carbazol-12-yl)-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]aniline
• SMILES: Nc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3)n2)c1
• InChI: InChI=1S/C51H34N6/c52-35-28-30-45(42(32-35)51-54-49(34-18-6-2-7-19-34)53-50(55-51)40-24-11-10-22-37(40)33-16-4-1-5-17-33)57-43-26-14-12-23-38(43)39-29-31-46-47(48(39)57)41-25-13-15-27-44(41)56(46)36-20-8-3-9-21-36/h1-32H,52H2
• InChIKey: RKNYHVWRYQVVIJ-UHFFFAOYSA-N
• XLogP: 12.32
• TPSA: 74.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.88
LogP ≤ 5	12.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenylindolo[3,2-c]carbazol-12-yl)-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]aniline?

The IUPAC name of 4-(5-phenylindolo[3,2-c]carbazol-12-yl)-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]aniline (CID 139303580) is 4-(5-phenylindolo[3,2-c]carbazol-12-yl)-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]aniline.

What is the SMILES notation for 4-(5-phenylindolo[3,2-c]carbazol-12-yl)-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]aniline?

The canonical SMILES for 4-(5-phenylindolo[3,2-c]carbazol-12-yl)-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]aniline is Nc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3)n2)c1.

What is the InChIKey of 4-(5-phenylindolo[3,2-c]carbazol-12-yl)-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]aniline?

The InChIKey is RKNYHVWRYQVVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N6/c52-35-28-30-45(42(32-35)51-54-49(34-18-6-2-7-19-34)53-50(55-51)40-24-11-10-22-37(40)33-16-4-1-5-17-33)57-43-26-14-12-23-38(43)39-29-31-46-47(48(39)57)41-25-13-15-27-44(41)56(46)36-20-8-3-9-21-36/h1-32H,52H2.

What are the key properties of 4-(5-phenylindolo[3,2-c]carbazol-12-yl)-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]aniline?

4-(5-phenylindolo[3,2-c]carbazol-12-yl)-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]aniline has a molecular weight of 730.88 g/mol, XLogP of 12.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-phenylindolo[3,2-c]carbazol-12-yl)-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]aniline is sourced from PubChem (CID 139303580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).