12-(6-phenyl-2-pyridinyl)-11-(4-triphenylen-1-ylphenyl)indolo[2,3-a]carbazole

C53H33N3 — CID 118150729

About 12-(6-phenyl-2-pyridinyl)-11-(4-triphenylen-1-ylphenyl)indolo[2,3-a]carbazole

12-(6-phenyl-2-pyridinyl)-11-(4-triphenylen-1-ylphenyl)indolo[2,3-a]carbazole (PubChem CID 118150729) has the molecular formula C53H33N3 and a molecular weight of 711.87 g/mol. Its IUPAC name is 12-(6-phenyl-2-pyridinyl)-11-(4-triphenylen-1-ylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-(6-phenyl-2-pyridinyl)-11-(4-triphenylen-1-ylphenyl)indolo[2,3-a]carbazole
• PubChem CID: 118150729
• Molecular Formula: C53H33N3
• Molecular Weight: 711.87 g/mol
• Exact Mass: 711.27
• IUPAC Name: 12-(6-phenyl-2-pyridinyl)-11-(4-triphenylen-1-ylphenyl)indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7cccc8c9ccccc9c9ccccc9c78)cc6)c5c43)n2)cc1
• InChI: InChI=1S/C53H33N3/c1-2-14-35(15-3-1)47-24-13-27-50(54-47)56-49-26-11-9-20-42(49)46-33-32-45-41-19-8-10-25-48(41)55(52(45)53(46)56)36-30-28-34(29-31-36)37-22-12-23-44-40-17-5-4-16-38(40)39-18-6-7-21-43(39)51(37)44/h1-33H
• InChIKey: XRMQMARWMXXFQS-UHFFFAOYSA-N
• XLogP: 14.07
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.87
LogP ≤ 5	14.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12-(6-phenyl-2-pyridinyl)-11-(4-triphenylen-1-ylphenyl)indolo[2,3-a]carbazole?

The IUPAC name of 12-(6-phenyl-2-pyridinyl)-11-(4-triphenylen-1-ylphenyl)indolo[2,3-a]carbazole (CID 118150729) is 12-(6-phenyl-2-pyridinyl)-11-(4-triphenylen-1-ylphenyl)indolo[2,3-a]carbazole.

What is the SMILES notation for 12-(6-phenyl-2-pyridinyl)-11-(4-triphenylen-1-ylphenyl)indolo[2,3-a]carbazole?

The canonical SMILES for 12-(6-phenyl-2-pyridinyl)-11-(4-triphenylen-1-ylphenyl)indolo[2,3-a]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7cccc8c9ccccc9c9ccccc9c78)cc6)c5c43)n2)cc1.

What is the InChIKey of 12-(6-phenyl-2-pyridinyl)-11-(4-triphenylen-1-ylphenyl)indolo[2,3-a]carbazole?

The InChIKey is XRMQMARWMXXFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3/c1-2-14-35(15-3-1)47-24-13-27-50(54-47)56-49-26-11-9-20-42(49)46-33-32-45-41-19-8-10-25-48(41)55(52(45)53(46)56)36-30-28-34(29-31-36)37-22-12-23-44-40-17-5-4-16-38(40)39-18-6-7-21-43(39)51(37)44/h1-33H.

What are the key properties of 12-(6-phenyl-2-pyridinyl)-11-(4-triphenylen-1-ylphenyl)indolo[2,3-a]carbazole?

12-(6-phenyl-2-pyridinyl)-11-(4-triphenylen-1-ylphenyl)indolo[2,3-a]carbazole has a molecular weight of 711.87 g/mol, XLogP of 14.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(6-phenyl-2-pyridinyl)-11-(4-triphenylen-1-ylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 118150729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).