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

C66H43N5 — CID 170542497

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

5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole (PubChem CID 170542497) has the molecular formula C66H43N5 and a molecular weight of 906.11 g/mol. Its IUPAC name is 5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
• PubChem CID: 170542497
• Molecular Formula: C66H43N5
• Molecular Weight: 906.11 g/mol
• Exact Mass: 905.35
• IUPAC Name: 5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
• SMILES: CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7-c7ccc8c9ccccc9c9ccccc9c8c7)c6cc54)n3)cccc21
• InChI: InChI=1S/C66H43N5/c1-66(2)55-30-14-10-28-50(55)62-51(29-18-31-56(62)66)64-67-63(40-19-4-3-5-20-40)68-65(69-64)71-59-34-17-13-27-49(59)54-38-53-48-26-12-16-33-58(48)70(60(53)39-61(54)71)57-32-15-11-21-42(57)41-35-36-47-45-24-7-6-22-43(45)44-23-8-9-25-46(44)52(47)37-41/h3-39H,1-2H3
• InChIKey: JHWPLOPTHJGMSY-UHFFFAOYSA-N
• XLogP: 16.83
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	906.11
LogP ≤ 5	16.83
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 5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole?

The IUPAC name of 5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole (CID 170542497) is 5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole.

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

The canonical SMILES for 5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7-c7ccc8c9ccccc9c9ccccc9c8c7)c6cc54)n3)cccc21.

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

The InChIKey is JHWPLOPTHJGMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N5/c1-66(2)55-30-14-10-28-50(55)62-51(29-18-31-56(62)66)64-67-63(40-19-4-3-5-20-40)68-65(69-64)71-59-34-17-13-27-49(59)54-38-53-48-26-12-16-33-58(48)70(60(53)39-61(54)71)57-32-15-11-21-42(57)41-35-36-47-45-24-7-6-22-43(45)44-23-8-9-25-46(44)52(47)37-41/h3-39H,1-2H3.

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

5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole has a molecular weight of 906.11 g/mol, XLogP of 16.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole is sourced from PubChem (CID 170542497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).