11-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole

C69H46N8 — CID 153028901

About 11-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole

11-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole (PubChem CID 153028901) has the molecular formula C69H46N8 and a molecular weight of 987.18 g/mol. Its IUPAC name is 11-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 11-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
• PubChem CID: 153028901
• Molecular Formula: C69H46N8
• Molecular Weight: 987.18 g/mol
• Exact Mass: 986.38
• IUPAC Name: 11-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
• SMILES: CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)n3)c21
• InChI: InChI=1S/C69H46N8/c1-69(2)56-35-18-15-30-48(56)51-33-21-34-52(62(51)69)67-72-65(45-26-11-5-12-27-45)71-66(75-67)46-38-39-59(55(40-46)68-73-63(43-22-7-3-8-23-43)70-64(74-68)44-24-9-4-10-25-44)77-58-37-20-17-32-50(58)54-41-60-53(42-61(54)77)49-31-16-19-36-57(49)76(60)47-28-13-6-14-29-47/h3-42H,1-2H3
• InChIKey: VDKMZBVBRYFYQJ-UHFFFAOYSA-N
• XLogP: 16.56
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	987.18
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?

The IUPAC name of 11-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole (CID 153028901) is 11-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole.

What is the SMILES notation for 11-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?

The canonical SMILES for 11-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole is CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)n3)c21.

What is the InChIKey of 11-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?

The InChIKey is VDKMZBVBRYFYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N8/c1-69(2)56-35-18-15-30-48(56)51-33-21-34-52(62(51)69)67-72-65(45-26-11-5-12-27-45)71-66(75-67)46-38-39-59(55(40-46)68-73-63(43-22-7-3-8-23-43)70-64(74-68)44-24-9-4-10-25-44)77-58-37-20-17-32-50(58)54-41-60-53(42-61(54)77)49-31-16-19-36-57(49)76(60)47-28-13-6-14-29-47/h3-42H,1-2H3.

What are the key properties of 11-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?

11-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole has a molecular weight of 987.18 g/mol, XLogP of 16.56, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 153028901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).