5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole

C78H52N6 — CID 160969457

About 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole

5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole (PubChem CID 160969457) has the molecular formula C78H52N6 and a molecular weight of 1073.32 g/mol. Its IUPAC name is 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole
• PubChem CID: 160969457
• Molecular Formula: C78H52N6
• Molecular Weight: 1073.32 g/mol
• Exact Mass: 1072.43
• IUPAC Name: 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C78H52N6/c1-78(2)65-37-15-9-31-56(65)61-43-44-71-72(73(61)78)62-36-14-20-42-70(62)84(71)74-63(51-27-21-29-54(45-51)82-66-38-16-10-32-57(66)58-33-11-17-39-67(58)82)47-53(77-80-75(49-23-5-3-6-24-49)79-76(81-77)50-25-7-4-8-26-50)48-64(74)52-28-22-30-55(46-52)83-68-40-18-12-34-59(68)60-35-13-19-41-69(60)83/h3-48H,1-2H3
• InChIKey: DLPZBUKWJXNBPP-UHFFFAOYSA-N
• XLogP: 19.80
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1073.32
LogP ≤ 5	19.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole?

The IUPAC name of 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole (CID 160969457) is 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole.

What is the SMILES notation for 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole?

The canonical SMILES for 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole?

The InChIKey is DLPZBUKWJXNBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52N6/c1-78(2)65-37-15-9-31-56(65)61-43-44-71-72(73(61)78)62-36-14-20-42-70(62)84(71)74-63(51-27-21-29-54(45-51)82-66-38-16-10-32-57(66)58-33-11-17-39-67(58)82)47-53(77-80-75(49-23-5-3-6-24-49)79-76(81-77)50-25-7-4-8-26-50)48-64(74)52-28-22-30-55(46-52)83-68-40-18-12-34-59(68)60-35-13-19-41-69(60)83/h3-48H,1-2H3.

What are the key properties of 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole?

5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole has a molecular weight of 1073.32 g/mol, XLogP of 19.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole is sourced from PubChem (CID 160969457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).