12-phenyl-5-[3-[8-[8-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]indolo[3,2-c]carbazole

C84H50N4S2 — CID 118041194

About 12-phenyl-5-[3-[8-[8-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]indolo[3,2-c]carbazole

12-phenyl-5-[3-[8-[8-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]indolo[3,2-c]carbazole (PubChem CID 118041194) has the molecular formula C84H50N4S2 and a molecular weight of 1179.49 g/mol. Its IUPAC name is 12-phenyl-5-[3-[8-[8-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 12-phenyl-5-[3-[8-[8-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]indolo[3,2-c]carbazole
• PubChem CID: 118041194
• Molecular Formula: C84H50N4S2
• Molecular Weight: 1179.49 g/mol
• Exact Mass: 1178.35
• IUPAC Name: 12-phenyl-5-[3-[8-[8-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]indolo[3,2-c]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc(-c5ccc6sc7ccc(-c8ccc9sc%10ccc(-c%11cccc(-n%12c%13ccccc%13c%13c%12ccc%12c%14ccccc%14n(-c%14ccccc%14)c%12%13)c%11)cc%10c9c8)cc7c6c5)c4)c32)cc1
• InChI: InChI=1S/C84H50N4S2/c1-3-19-57(20-4-1)87-71-29-11-7-25-61(71)63-37-39-75-81(83(63)87)65-27-9-13-31-73(65)85(75)59-23-15-17-51(45-59)53-33-41-77-67(47-53)69-49-55(35-43-79(69)89-77)56-36-44-80-70(50-56)68-48-54(34-42-78(68)90-80)52-18-16-24-60(46-52)86-74-32-14-10-28-66(74)82-76(86)40-38-64-62-26-8-12-30-72(62)88(84(64)82)58-21-5-2-6-22-58/h1-50H
• InChIKey: OLOCNNBNMUDAEF-UHFFFAOYSA-N
• XLogP: 23.81
• TPSA: 19.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1179.49
LogP ≤ 5	23.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-5-[3-[8-[8-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]indolo[3,2-c]carbazole?

The IUPAC name of 12-phenyl-5-[3-[8-[8-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]indolo[3,2-c]carbazole (CID 118041194) is 12-phenyl-5-[3-[8-[8-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]indolo[3,2-c]carbazole.

What is the SMILES notation for 12-phenyl-5-[3-[8-[8-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]indolo[3,2-c]carbazole?

The canonical SMILES for 12-phenyl-5-[3-[8-[8-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]indolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc(-c5ccc6sc7ccc(-c8ccc9sc%10ccc(-c%11cccc(-n%12c%13ccccc%13c%13c%12ccc%12c%14ccccc%14n(-c%14ccccc%14)c%12%13)c%11)cc%10c9c8)cc7c6c5)c4)c32)cc1.

What is the InChIKey of 12-phenyl-5-[3-[8-[8-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]indolo[3,2-c]carbazole?

The InChIKey is OLOCNNBNMUDAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H50N4S2/c1-3-19-57(20-4-1)87-71-29-11-7-25-61(71)63-37-39-75-81(83(63)87)65-27-9-13-31-73(65)85(75)59-23-15-17-51(45-59)53-33-41-77-67(47-53)69-49-55(35-43-79(69)89-77)56-36-44-80-70(50-56)68-48-54(34-42-78(68)90-80)52-18-16-24-60(46-52)86-74-32-14-10-28-66(74)82-76(86)40-38-64-62-26-8-12-30-72(62)88(84(64)82)58-21-5-2-6-22-58/h1-50H.

What are the key properties of 12-phenyl-5-[3-[8-[8-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]indolo[3,2-c]carbazole?

12-phenyl-5-[3-[8-[8-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]indolo[3,2-c]carbazole has a molecular weight of 1179.49 g/mol, XLogP of 23.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-phenyl-5-[3-[8-[8-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 118041194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).