12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole

C59H44N6 — CID 129209891

About 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole

12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole (PubChem CID 129209891) has the molecular formula C59H44N6 and a molecular weight of 837.04 g/mol. Its IUPAC name is 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole
• PubChem CID: 129209891
• Molecular Formula: C59H44N6
• Molecular Weight: 837.04 g/mol
• Exact Mass: 836.36
• IUPAC Name: 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole
• SMILES: CC1C=Cc2c(c3ccccc3n2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4c(c5ccc6c7ccccc7n(-c7ccccc7)c6c53)CC(C)C=C4)c2)C1
• InChI: InChI=1S/C59H44N6/c1-37-26-30-53-49(32-37)46-23-13-14-24-51(46)63(53)43-34-41(59-61-57(39-16-6-3-7-17-39)60-58(62-59)40-18-8-4-9-19-40)35-44(36-43)65-54-31-27-38(2)33-50(54)48-29-28-47-45-22-12-15-25-52(45)64(55(47)56(48)65)42-20-10-5-11-21-42/h3-31,34-38H,32-33H2,1-2H3
• InChIKey: HDDPAKRPMIIQKU-UHFFFAOYSA-N
• XLogP: 14.27
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.04
LogP ≤ 5	14.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole?

The IUPAC name of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole (CID 129209891) is 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole.

What is the SMILES notation for 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole?

The canonical SMILES for 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole is CC1C=Cc2c(c3ccccc3n2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4c(c5ccc6c7ccccc7n(-c7ccccc7)c6c53)CC(C)C=C4)c2)C1.

What is the InChIKey of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole?

The InChIKey is HDDPAKRPMIIQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44N6/c1-37-26-30-53-49(32-37)46-23-13-14-24-51(46)63(53)43-34-41(59-61-57(39-16-6-3-7-17-39)60-58(62-59)40-18-8-4-9-19-40)35-44(36-43)65-54-31-27-38(2)33-50(54)48-29-28-47-45-22-12-15-25-52(45)64(55(47)56(48)65)42-20-10-5-11-21-42/h3-31,34-38H,32-33H2,1-2H3.

What are the key properties of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole?

12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole has a molecular weight of 837.04 g/mol, XLogP of 14.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 129209891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).