12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole

C69H43N5 — CID 170542511

About 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole

12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole (PubChem CID 170542511) has the molecular formula C69H43N5 and a molecular weight of 942.14 g/mol. Its IUPAC name is 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
• PubChem CID: 170542511
• Molecular Formula: C69H43N5
• Molecular Weight: 942.14 g/mol
• Exact Mass: 941.35
• IUPAC Name: 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)c54)n3)cc2)cc1
• InChI: InChI=1S/C69H43N5/c1-3-16-44(17-4-1)46-30-34-48(35-31-46)67-70-68(49-36-32-47(33-37-49)45-18-5-2-6-19-45)72-69(71-67)74-62-28-13-11-26-58(62)59-40-41-64-65(66(59)74)60-27-12-14-29-63(60)73(64)52-21-15-20-50(42-52)51-38-39-57-55-24-8-7-22-53(55)54-23-9-10-25-56(54)61(57)43-51/h1-43H
• InChIKey: GCUAKESOXBBOMW-UHFFFAOYSA-N
• XLogP: 17.86
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	942.14
LogP ≤ 5	17.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole?

The IUPAC name of 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole (CID 170542511) is 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole.

What is the SMILES notation for 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole?

The canonical SMILES for 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)c54)n3)cc2)cc1.

What is the InChIKey of 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole?

The InChIKey is GCUAKESOXBBOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N5/c1-3-16-44(17-4-1)46-30-34-48(35-31-46)67-70-68(49-36-32-47(33-37-49)45-18-5-2-6-19-45)72-69(71-67)74-62-28-13-11-26-58(62)59-40-41-64-65(66(59)74)60-27-12-14-29-63(60)73(64)52-21-15-20-50(42-52)51-38-39-57-55-24-8-7-22-53(55)54-23-9-10-25-56(54)61(57)43-51/h1-43H.

What are the key properties of 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole?

12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole has a molecular weight of 942.14 g/mol, XLogP of 17.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 170542511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).