2-[4-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole

C99H58N12S3 — CID 154970633

About 2-[4-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole

2-[4-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole (PubChem CID 154970633) has the molecular formula C99H58N12S3 and a molecular weight of 1511.84 g/mol. Its IUPAC name is 2-[4-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 2-[4-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole
• PubChem CID: 154970633
• Molecular Formula: C99H58N12S3
• Molecular Weight: 1511.84 g/mol
• Exact Mass: 1510.41
• IUPAC Name: 2-[4-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole
• SMILES: c1ccc(-c2nc(-c3ccc(-c4nc5cc(-c6ccc7c8ccccc8n(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10cccc%11sc%12ccc(-c%13nc%14ccccc%14n%13-c%13ccccc%13)cc%12c%10%11)n9)c8)c7c6)ccc5s4)cc3)nc(-c3cccc4sc5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5c34)n2)cc1
• InChI: InChI=1S/C99H58N12S3/c1-5-22-59(23-6-1)91-103-93(107-95(105-91)73-33-20-40-87-89(73)75-55-66(48-51-84(75)112-87)97-100-77-35-14-17-38-81(77)110(97)68-27-9-3-10-28-68)61-42-44-62(45-43-61)99-102-79-57-63(47-53-86(79)114-99)64-46-50-72-71-32-13-16-37-80(71)109(83(72)58-64)70-31-19-26-65(54-70)94-104-92(60-24-7-2-8-25-60)106-96(108-94)74-34-21-41-88-90(74)76-56-67(49-52-85(76)113-88)98-101-78-36-15-18-39-82(78)111(98)69-29-11-4-12-30-69/h1-58H
• InChIKey: GSLQUKMEOHUYJG-UHFFFAOYSA-N
• XLogP: 25.85
• TPSA: 130.80 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1511.84
LogP ≤ 5	25.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole?

The IUPAC name of 2-[4-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole (CID 154970633) is 2-[4-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole.

What is the SMILES notation for 2-[4-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole?

The canonical SMILES for 2-[4-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole is c1ccc(-c2nc(-c3ccc(-c4nc5cc(-c6ccc7c8ccccc8n(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10cccc%11sc%12ccc(-c%13nc%14ccccc%14n%13-c%13ccccc%13)cc%12c%10%11)n9)c8)c7c6)ccc5s4)cc3)nc(-c3cccc4sc5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5c34)n2)cc1.

What is the InChIKey of 2-[4-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole?

The InChIKey is GSLQUKMEOHUYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H58N12S3/c1-5-22-59(23-6-1)91-103-93(107-95(105-91)73-33-20-40-87-89(73)75-55-66(48-51-84(75)112-87)97-100-77-35-14-17-38-81(77)110(97)68-27-9-3-10-28-68)61-42-44-62(45-43-61)99-102-79-57-63(47-53-86(79)114-99)64-46-50-72-71-32-13-16-37-80(71)109(83(72)58-64)70-31-19-26-65(54-70)94-104-92(60-24-7-2-8-25-60)106-96(108-94)74-34-21-41-88-90(74)76-56-67(49-52-85(76)113-88)98-101-78-36-15-18-39-82(78)111(98)69-29-11-4-12-30-69/h1-58H.

What are the key properties of 2-[4-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole?

2-[4-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole has a molecular weight of 1511.84 g/mol, XLogP of 25.85, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 154970633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).