11-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-b]carbazole

C69H45N5 — CID 146280406

About 11-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-b]carbazole

11-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-b]carbazole (PubChem CID 146280406) has the molecular formula C69H45N5 and a molecular weight of 944.15 g/mol. Its IUPAC name is 11-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 11-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-b]carbazole
• PubChem CID: 146280406
• Molecular Formula: C69H45N5
• Molecular Weight: 944.15 g/mol
• Exact Mass: 943.37
• IUPAC Name: 11-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-b]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)c(-c5ccccc5)c4)n3)c2)cc1
• InChI: InChI=1S/C69H45N5/c1-7-23-46(24-8-1)51-39-52(47-25-9-2-10-26-47)41-53(40-51)68-70-67(50-31-15-5-16-32-50)71-69(72-68)54-42-58(48-27-11-3-12-28-48)66(59(43-54)49-29-13-4-14-30-49)74-63-38-22-20-36-57(63)61-44-64-60(45-65(61)74)56-35-19-21-37-62(56)73(64)55-33-17-6-18-34-55/h1-45H
• InChIKey: BMCLXENZKIVSBB-UHFFFAOYSA-N
• XLogP: 17.73
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	944.15
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-b]carbazole?

The IUPAC name of 11-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-b]carbazole (CID 146280406) is 11-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-b]carbazole.

What is the SMILES notation for 11-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-b]carbazole?

The canonical SMILES for 11-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-b]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)c(-c5ccccc5)c4)n3)c2)cc1.

What is the InChIKey of 11-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-b]carbazole?

The InChIKey is BMCLXENZKIVSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N5/c1-7-23-46(24-8-1)51-39-52(47-25-9-2-10-26-47)41-53(40-51)68-70-67(50-31-15-5-16-32-50)71-69(72-68)54-42-58(48-27-11-3-12-28-48)66(59(43-54)49-29-13-4-14-30-49)74-63-38-22-20-36-57(63)61-44-64-60(45-65(61)74)56-35-19-21-37-62(56)73(64)55-33-17-6-18-34-55/h1-45H.

What are the key properties of 11-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-b]carbazole?

11-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-b]carbazole has a molecular weight of 944.15 g/mol, XLogP of 17.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 146280406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).