6-phenyl-4-[2-[12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-8-[12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole

C93H51N7OS4 — CID 130369559

About 6-phenyl-4-[2-[12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-8-[12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole

6-phenyl-4-[2-[12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-8-[12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole (PubChem CID 130369559) has the molecular formula C93H51N7OS4 and a molecular weight of 1410.75 g/mol. Its IUPAC name is 6-phenyl-4-[2-[12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-8-[12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 6-phenyl-4-[2-[12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-8-[12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole
• PubChem CID: 130369559
• Molecular Formula: C93H51N7OS4
• Molecular Weight: 1410.75 g/mol
• Exact Mass: 1409.30
• IUPAC Name: 6-phenyl-4-[2-[12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-8-[12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole
• SMILES: c1ccc(-c2cc(-n3c4cc(-c5ccc6sc7c(ccc8c9ccccc9n(-c9cccc%10c9ncn%10-c9ccccc9)c87)c6c5)ccc4c4ccc5c6cc(-c7ccc8c9ccc%10c%11ccccc%11sc%10c9n(-c9cc(-c%10ccccc%10)cc%10scnc9%10)c8c7)ccc6sc5c43)c3ncoc3c2)cc1
• InChI: InChI=1S/C93H51N7OS4/c1-4-15-52(16-5-1)58-45-78(86-80(47-58)101-50-95-86)99-76-43-56(54-29-39-82-71(41-54)69-37-34-65-61-21-10-12-23-73(61)98(88(65)92(69)104-82)75-25-14-24-74-85(75)94-49-97(74)60-19-8-3-9-20-60)27-31-62(76)67-35-38-70-72-42-55(30-40-83(72)105-93(70)90(67)99)57-28-32-63-66-33-36-68-64-22-11-13-26-81(64)103-91(68)89(66)100(77(63)44-57)79-46-59(53-17-6-2-7-18-53)48-84-87(79)96-51-102-84/h1-51H
• InChIKey: VBIHPZGRKSZOSI-UHFFFAOYSA-N
• XLogP: 26.84
• TPSA: 71.53 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1410.75
LogP ≤ 5	26.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-[2-[12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-8-[12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole?

The IUPAC name of 6-phenyl-4-[2-[12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-8-[12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole (CID 130369559) is 6-phenyl-4-[2-[12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-8-[12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole.

What is the SMILES notation for 6-phenyl-4-[2-[12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-8-[12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole?

The canonical SMILES for 6-phenyl-4-[2-[12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-8-[12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole is c1ccc(-c2cc(-n3c4cc(-c5ccc6sc7c(ccc8c9ccccc9n(-c9cccc%10c9ncn%10-c9ccccc9)c87)c6c5)ccc4c4ccc5c6cc(-c7ccc8c9ccc%10c%11ccccc%11sc%10c9n(-c9cc(-c%10ccccc%10)cc%10scnc9%10)c8c7)ccc6sc5c43)c3ncoc3c2)cc1.

What is the InChIKey of 6-phenyl-4-[2-[12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-8-[12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole?

The InChIKey is VBIHPZGRKSZOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H51N7OS4/c1-4-15-52(16-5-1)58-45-78(86-80(47-58)101-50-95-86)99-76-43-56(54-29-39-82-71(41-54)69-37-34-65-61-21-10-12-23-73(61)98(88(65)92(69)104-82)75-25-14-24-74-85(75)94-49-97(74)60-19-8-3-9-20-60)27-31-62(76)67-35-38-70-72-42-55(30-40-83(72)105-93(70)90(67)99)57-28-32-63-66-33-36-68-64-22-11-13-26-81(64)103-91(68)89(66)100(77(63)44-57)79-46-59(53-17-6-2-7-18-53)48-84-87(79)96-51-102-84/h1-51H.

What are the key properties of 6-phenyl-4-[2-[12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-8-[12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole?

6-phenyl-4-[2-[12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-8-[12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole has a molecular weight of 1410.75 g/mol, XLogP of 26.84, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-4-[2-[12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-8-[12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole is sourced from PubChem (CID 130369559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).