5-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-7-(3-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole

C69H42N6 — CID 170542394

About 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-7-(3-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole

5-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-7-(3-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole (PubChem CID 170542394) has the molecular formula C69H42N6 and a molecular weight of 955.14 g/mol. Its IUPAC name is 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-7-(3-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-7-(3-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
• PubChem CID: 170542394
• Molecular Formula: C69H42N6
• Molecular Weight: 955.14 g/mol
• Exact Mass: 954.35
• IUPAC Name: 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-7-(3-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
• SMILES: c1ccc(-c2nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)c5cc43)n2)cc1
• InChI: InChI=1S/C69H42N6/c1-3-19-43(20-4-1)67-70-68(56-32-18-36-63-66(56)55-31-13-16-35-62(55)73(63)46-22-5-2-6-23-46)72-69(71-67)75-61-34-15-12-30-54(61)59-41-58-53-29-11-14-33-60(53)74(64(58)42-65(59)75)47-24-17-21-44(39-47)45-37-38-52-50-27-8-7-25-48(50)49-26-9-10-28-51(49)57(52)40-45/h1-42H
• InChIKey: SUPNVYXKWXRDQC-UHFFFAOYSA-N
• XLogP: 17.62
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.14
LogP ≤ 5	17.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-7-(3-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole?

The IUPAC name of 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-7-(3-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole (CID 170542394) is 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-7-(3-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole.

What is the SMILES notation for 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-7-(3-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole?

The canonical SMILES for 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-7-(3-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole is c1ccc(-c2nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)c5cc43)n2)cc1.

What is the InChIKey of 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-7-(3-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole?

The InChIKey is SUPNVYXKWXRDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42N6/c1-3-19-43(20-4-1)67-70-68(56-32-18-36-63-66(56)55-31-13-16-35-62(55)73(63)46-22-5-2-6-23-46)72-69(71-67)75-61-34-15-12-30-54(61)59-41-58-53-29-11-14-33-60(53)74(64(58)42-65(59)75)47-24-17-21-44(39-47)45-37-38-52-50-27-8-7-25-48(50)49-26-9-10-28-51(49)57(52)40-45/h1-42H.

What are the key properties of 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-7-(3-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole?

5-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-7-(3-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole has a molecular weight of 955.14 g/mol, XLogP of 17.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-7-(3-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole is sourced from PubChem (CID 170542394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).