7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(2-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole

C64H39N7O — CID 166583193

About 7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(2-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole

7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(2-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole (PubChem CID 166583193) has the molecular formula C64H39N7O and a molecular weight of 922.06 g/mol. Its IUPAC name is 7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(2-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(2-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole
• PubChem CID: 166583193
• Molecular Formula: C64H39N7O
• Molecular Weight: 922.06 g/mol
• Exact Mass: 921.32
• IUPAC Name: 7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(2-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole
• SMILES: c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc6cccc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9c87)c6o5)cc4)c3c2)cc1
• InChI: InChI=1S/C64H39N7O/c1-4-17-40(18-5-1)44-33-36-49-46-23-10-13-27-53(46)69(57(49)39-44)45-34-31-43(32-35-45)63-65-52-26-16-30-56(60(52)72-63)70-54-28-14-11-24-47(54)50-37-38-51-48-25-12-15-29-55(48)71(59(51)58(50)70)64-67-61(41-19-6-2-7-20-41)66-62(68-64)42-21-8-3-9-22-42/h1-39H
• InChIKey: PPPHMPKAYJRVLR-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 79.49 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	922.06
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(2-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole?

The IUPAC name of 7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(2-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole (CID 166583193) is 7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(2-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole.

What is the SMILES notation for 7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(2-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole?

The canonical SMILES for 7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(2-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole is c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc6cccc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9c87)c6o5)cc4)c3c2)cc1.

What is the InChIKey of 7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(2-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole?

The InChIKey is PPPHMPKAYJRVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39N7O/c1-4-17-40(18-5-1)44-33-36-49-46-23-10-13-27-53(46)69(57(49)39-44)45-34-31-43(32-35-45)63-65-52-26-16-30-56(60(52)72-63)70-54-28-14-11-24-47(54)50-37-38-51-48-25-12-15-29-55(48)71(59(51)58(50)70)64-67-61(41-19-6-2-7-20-41)66-62(68-64)42-21-8-3-9-22-42/h1-39H.

What are the key properties of 7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(2-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole?

7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(2-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole has a molecular weight of 922.06 g/mol, XLogP of 15.97, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(2-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 166583193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).