5-[4-[2-[3-[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

C112H70N8S2 — CID 134569448

About 5-[4-[2-[3-[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

5-[4-[2-[3-[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 134569448) has the molecular formula C112H70N8S2 and a molecular weight of 1591.98 g/mol. Its IUPAC name is 5-[4-[2-[3-[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

• Compound Name: 5-[4-[2-[3-[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
• PubChem CID: 134569448
• Molecular Formula: C112H70N8S2
• Molecular Weight: 1591.98 g/mol
• Exact Mass: 1590.52
• IUPAC Name: 5-[4-[2-[3-[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5cc(-c6ccccc6)nc(-c6cccc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccc(-c%12ccccc%12)cc%10n%11-c%10cc(-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)c%11sc%12ccccc%12c%11c%10)ccc98)cc7)c6)n5)c5sc6ccccc6c5c4)c3cc21
• InChI: InChI=1S/C112H70N8S2/c1-112(2)94-41-20-15-36-80(94)86-64-89-82-38-17-22-43-99(82)119(103(89)65-95(86)112)78-60-90-84-39-18-23-44-104(84)121-106(90)92(62-78)97-66-96(69-28-9-4-10-29-69)113-110(114-97)76-35-25-34-72(56-76)68-46-51-77(52-47-68)118-98-42-21-16-37-81(98)87-57-73(49-54-100(87)118)74-50-55-101-88(58-74)83-53-48-75(67-26-7-3-8-27-67)59-102(83)120(101)79-61-91-85-40-19-24-45-105(85)122-107(91)93(63-79)111-116-108(70-30-11-5-12-31-70)115-109(117-111)71-32-13-6-14-33-71/h3-66H,1-2H3
• InChIKey: LOXGPGNBKLDQBI-UHFFFAOYSA-N
• XLogP: 30.00
• TPSA: 79.24 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1591.98
LogP ≤ 5	30.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[3-[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?

The IUPAC name of 5-[4-[2-[3-[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 134569448) is 5-[4-[2-[3-[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.

What is the SMILES notation for 5-[4-[2-[3-[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?

The canonical SMILES for 5-[4-[2-[3-[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5cc(-c6ccccc6)nc(-c6cccc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccc(-c%12ccccc%12)cc%10n%11-c%10cc(-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)c%11sc%12ccccc%12c%11c%10)ccc98)cc7)c6)n5)c5sc6ccccc6c5c4)c3cc21.

What is the InChIKey of 5-[4-[2-[3-[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?

The InChIKey is LOXGPGNBKLDQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H70N8S2/c1-112(2)94-41-20-15-36-80(94)86-64-89-82-38-17-22-43-99(82)119(103(89)65-95(86)112)78-60-90-84-39-18-23-44-104(84)121-106(90)92(62-78)97-66-96(69-28-9-4-10-29-69)113-110(114-97)76-35-25-34-72(56-76)68-46-51-77(52-47-68)118-98-42-21-16-37-81(98)87-57-73(49-54-100(87)118)74-50-55-101-88(58-74)83-53-48-75(67-26-7-3-8-27-67)59-102(83)120(101)79-61-91-85-40-19-24-45-105(85)122-107(91)93(63-79)111-116-108(70-30-11-5-12-31-70)115-109(117-111)71-32-13-6-14-33-71/h3-66H,1-2H3.

What are the key properties of 5-[4-[2-[3-[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?

5-[4-[2-[3-[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 1591.98 g/mol, XLogP of 30.00, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-[3-[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 134569448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).