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

C65H40N6O — CID 166582891

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

2-phenyl-7-[4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole (PubChem CID 166582891) has the molecular formula C65H40N6O and a molecular weight of 921.08 g/mol. Its IUPAC name is 2-phenyl-7-[4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-phenyl-7-[4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
• PubChem CID: 166582891
• Molecular Formula: C65H40N6O
• Molecular Weight: 921.08 g/mol
• Exact Mass: 920.33
• IUPAC Name: 2-phenyl-7-[4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
• SMILES: c1ccc(-c2nc3cccc(-c4nc(-c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)nc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)n4)c3o2)cc1
• InChI: InChI=1S/C65H40N6O/c1-4-19-42(20-5-1)63-66-55-32-18-29-52(60(55)72-63)62-67-61(41-35-37-44(38-36-41)65(43-21-6-2-7-22-43)53-30-14-10-25-46(53)47-26-11-15-31-54(47)65)68-64(69-62)71-57-34-17-13-28-49(57)51-40-39-50-48-27-12-16-33-56(48)70(58(50)59(51)71)45-23-8-3-9-24-45/h1-40H
• InChIKey: FRUSNMSAPSJKSW-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 2-phenyl-7-[4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole?

The IUPAC name of 2-phenyl-7-[4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole (CID 166582891) is 2-phenyl-7-[4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole.

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

The canonical SMILES for 2-phenyl-7-[4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole is c1ccc(-c2nc3cccc(-c4nc(-c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)nc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)n4)c3o2)cc1.

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

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

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

2-phenyl-7-[4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-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 2-phenyl-7-[4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 166582891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).