5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazol-6-yl]-9,11,11-triphenylindeno[1,2-b]carbazole

C98H62N8 — CID 138744160

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazol-6-yl]-9,11,11-triphenylindeno[1,2-b]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazol-6-yl]-9,11,11-triphenylindeno[1,2-b]carbazole (PubChem CID 138744160) has the molecular formula C98H62N8 and a molecular weight of 1351.63 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazol-6-yl]-9,11,11-triphenylindeno[1,2-b]carbazole.

Molecular Properties

• Compound Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazol-6-yl]-9,11,11-triphenylindeno[1,2-b]carbazole
• PubChem CID: 138744160
• Molecular Formula: C98H62N8
• Molecular Weight: 1351.63 g/mol
• Exact Mass: 1350.51
• IUPAC Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazol-6-yl]-9,11,11-triphenylindeno[1,2-b]carbazole
• SMILES: c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc4c5ccc(-c6cc7c(c8c6c6ccccc6n8-c6nc(-c8ccccc8)nc(-c8ccccc8)n6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4cc2-3)cc1
• InChI: InChI=1S/C98H62N8/c1-10-32-63(33-11-1)68-54-56-75-79-62-87-80(61-84(79)97(83(75)58-68,70-42-20-6-21-43-70)71-44-22-7-23-45-71)76-57-55-69(59-86(76)105(87)95-101-91(64-34-12-2-13-35-64)99-92(102-95)65-36-14-3-15-37-65)78-60-81-74-50-28-30-52-82(74)98(72-46-24-8-25-47-72,73-48-26-9-27-49-73)89(81)90-88(78)77-51-29-31-53-85(77)106(90)96-103-93(66-38-16-4-17-39-66)100-94(104-96)67-40-18-5-19-41-67/h1-62H
• InChIKey: QSUDAFWZRAZOEO-UHFFFAOYSA-N
• XLogP: 22.98
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1351.63
LogP ≤ 5	22.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazol-6-yl]-9,11,11-triphenylindeno[1,2-b]carbazole?

The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazol-6-yl]-9,11,11-triphenylindeno[1,2-b]carbazole (CID 138744160) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazol-6-yl]-9,11,11-triphenylindeno[1,2-b]carbazole.

What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazol-6-yl]-9,11,11-triphenylindeno[1,2-b]carbazole?

The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazol-6-yl]-9,11,11-triphenylindeno[1,2-b]carbazole is c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc4c5ccc(-c6cc7c(c8c6c6ccccc6n8-c6nc(-c8ccccc8)nc(-c8ccccc8)n6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4cc2-3)cc1.

What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazol-6-yl]-9,11,11-triphenylindeno[1,2-b]carbazole?

The InChIKey is QSUDAFWZRAZOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H62N8/c1-10-32-63(33-11-1)68-54-56-75-79-62-87-80(61-84(79)97(83(75)58-68,70-42-20-6-21-43-70)71-44-22-7-23-45-71)76-57-55-69(59-86(76)105(87)95-101-91(64-34-12-2-13-35-64)99-92(102-95)65-36-14-3-15-37-65)78-60-81-74-50-28-30-52-82(74)98(72-46-24-8-25-47-72,73-48-26-9-27-49-73)89(81)90-88(78)77-51-29-31-53-85(77)106(90)96-103-93(66-38-16-4-17-39-66)100-94(104-96)67-40-18-5-19-41-67/h1-62H.

What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazol-6-yl]-9,11,11-triphenylindeno[1,2-b]carbazole?

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazol-6-yl]-9,11,11-triphenylindeno[1,2-b]carbazole has a molecular weight of 1351.63 g/mol, XLogP of 22.98, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazol-6-yl]-9,11,11-triphenylindeno[1,2-b]carbazole is sourced from PubChem (CID 138744160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).