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

C70H44N6 — CID 134598177

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

4-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[3,2-c]carbazole (PubChem CID 134598177) has the molecular formula C70H44N6 and a molecular weight of 969.16 g/mol. Its IUPAC name is 4-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 4-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[3,2-c]carbazole
• PubChem CID: 134598177
• Molecular Formula: C70H44N6
• Molecular Weight: 969.16 g/mol
• Exact Mass: 968.36
• IUPAC Name: 4-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[3,2-c]carbazole
• SMILES: c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc4c5c(ccc6c7ccccc7n(-c7ccccc7)c65)n(-c5ccccc5)c34)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C70H44N6/c1-6-22-45(23-7-1)58-44-59(72-70(71-58)46-24-8-2-9-25-46)56-42-50(76-61-36-20-17-33-52(61)53-38-40-63-65(68(53)76)55-34-18-21-37-62(55)73(63)47-26-10-3-11-27-47)43-57-66-64(75(67(56)57)49-30-14-5-15-31-49)41-39-54-51-32-16-19-35-60(51)74(69(54)66)48-28-12-4-13-29-48/h1-44H
• InChIKey: LUJUJDAETYTEFF-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 4-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[3,2-c]carbazole?

The IUPAC name of 4-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[3,2-c]carbazole (CID 134598177) is 4-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[3,2-c]carbazole.

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

The canonical SMILES for 4-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[3,2-c]carbazole is c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc4c5c(ccc6c7ccccc7n(-c7ccccc7)c65)n(-c5ccccc5)c34)nc(-c3ccccc3)n2)cc1.

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

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

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

4-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(5-phenylindolo[3,2-c]carbazol-12-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 4-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 134598177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).