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

C65H40N6O — CID 166583200

About 7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(9-phenylfluoren-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-(9-phenylfluoren-9-yl)phenyl]-1,3-benzoxazole (PubChem CID 166583200) has the molecular formula C65H40N6O and a molecular weight of 921.08 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-(9-phenylfluoren-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-(9-phenylfluoren-9-yl)phenyl]-1,3-benzoxazole
• PubChem CID: 166583200
• Molecular Formula: C65H40N6O
• Molecular Weight: 921.08 g/mol
• Exact Mass: 920.33
• IUPAC Name: 7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(9-phenylfluoren-9-yl)phenyl]-1,3-benzoxazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc7nc(-c8ccc(C9(c%10ccccc%10)c%10ccccc%10-c%10ccccc%109)cc8)oc67)c5c43)n2)cc1
• InChI: InChI=1S/C65H40N6O/c1-4-19-41(20-5-1)61-67-62(42-21-6-2-7-22-42)69-64(68-61)71-56-33-17-13-28-49(56)51-40-39-50-48-27-12-16-32-55(48)70(58(50)59(51)71)57-34-18-31-54-60(57)72-63(66-54)43-35-37-45(38-36-43)65(44-23-8-3-9-24-44)52-29-14-10-25-46(52)47-26-11-15-30-53(47)65/h1-40H
• InChIKey: YFFULOYIMAIIGI-UHFFFAOYSA-N
• XLogP: 15.57
• TPSA: 74.56 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.08
LogP ≤ 5	15.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-(9-phenylfluoren-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-(9-phenylfluoren-9-yl)phenyl]-1,3-benzoxazole (CID 166583200) is 7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(9-phenylfluoren-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-(9-phenylfluoren-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-(9-phenylfluoren-9-yl)phenyl]-1,3-benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc7nc(-c8ccc(C9(c%10ccccc%10)c%10ccccc%10-c%10ccccc%109)cc8)oc67)c5c43)n2)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-(9-phenylfluoren-9-yl)phenyl]-1,3-benzoxazole?

The InChIKey is YFFULOYIMAIIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40N6O/c1-4-19-41(20-5-1)61-67-62(42-21-6-2-7-22-42)69-64(68-61)71-56-33-17-13-28-49(56)51-40-39-50-48-27-12-16-32-55(48)70(58(50)59(51)71)57-34-18-31-54-60(57)72-63(66-54)43-35-37-45(38-36-43)65(44-23-8-3-9-24-44)52-29-14-10-25-46(52)47-26-11-15-30-53(47)65/h1-40H.

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-(9-phenylfluoren-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-(9-phenylfluoren-9-yl)phenyl]-1,3-benzoxazole has a molecular weight of 921.08 g/mol, XLogP of 15.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 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-(9-phenylfluoren-9-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 166583200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).