8-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole

C70H44N6 — CID 134598091

About 8-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole

8-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole (PubChem CID 134598091) has the molecular formula C70H44N6 and a molecular weight of 969.16 g/mol. Its IUPAC name is 8-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 8-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole
• PubChem CID: 134598091
• Molecular Formula: C70H44N6
• Molecular Weight: 969.16 g/mol
• Exact Mass: 968.36
• IUPAC Name: 8-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole
• SMILES: c1ccc(-c2cc(-c3cccc4c3c3ccc5c(c6cc(-n7c8ccccc8c8c7ccc7c9ccccc9n(-c9ccccc9)c78)ccc6n5-c5ccccc5)c3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C70H44N6/c1-6-21-45(22-7-1)57-44-58(72-70(71-57)46-23-8-2-9-24-46)53-33-20-36-62-65(53)55-39-42-64-67(69(55)76(62)49-29-14-5-15-30-49)56-43-50(37-40-61(56)73(64)47-25-10-3-11-26-47)74-60-35-19-17-32-54(60)66-63(74)41-38-52-51-31-16-18-34-59(51)75(68(52)66)48-27-12-4-13-28-48/h1-44H
• InChIKey: DRBXQNDSXGDQGQ-UHFFFAOYSA-N
• XLogP: 17.87
• TPSA: 45.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.16
LogP ≤ 5	17.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole?

The IUPAC name of 8-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole (CID 134598091) is 8-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole.

What is the SMILES notation for 8-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole?

The canonical SMILES for 8-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole is c1ccc(-c2cc(-c3cccc4c3c3ccc5c(c6cc(-n7c8ccccc8c8c7ccc7c9ccccc9n(-c9ccccc9)c78)ccc6n5-c5ccccc5)c3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 8-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole?

The InChIKey is DRBXQNDSXGDQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N6/c1-6-21-45(22-7-1)57-44-58(72-70(71-57)46-23-8-2-9-24-46)53-33-20-36-62-65(53)55-39-42-64-67(69(55)76(62)49-29-14-5-15-30-49)56-43-50(37-40-61(56)73(64)47-25-10-3-11-26-47)74-60-35-19-17-32-54(60)66-63(74)41-38-52-51-31-16-18-34-59(51)75(68(52)66)48-27-12-4-13-28-48/h1-44H.

What are the key properties of 8-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole?

8-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole has a molecular weight of 969.16 g/mol, XLogP of 17.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 134598091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).