11-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(2-methylphenyl)indolo[2,3-a]carbazole

C60H38N6 — CID 58556572

About 11-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(2-methylphenyl)indolo[2,3-a]carbazole

11-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(2-methylphenyl)indolo[2,3-a]carbazole (PubChem CID 58556572) has the molecular formula C60H38N6 and a molecular weight of 843.01 g/mol. Its IUPAC name is 11-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(2-methylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(2-methylphenyl)indolo[2,3-a]carbazole
• PubChem CID: 58556572
• Molecular Formula: C60H38N6
• Molecular Weight: 843.01 g/mol
• Exact Mass: 842.32
• IUPAC Name: 11-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(2-methylphenyl)indolo[2,3-a]carbazole
• SMILES: Cc1ccccc1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)c3c21
• InChI: InChI=1S/C60H38N6/c1-37-16-2-10-28-51(37)65-53-30-12-8-24-44(53)47-34-33-46-43-23-7-11-29-52(43)64(56(46)57(47)65)40-32-35-55-50(36-40)45-25-9-13-31-54(45)66(55)60-62-58(48-26-14-19-38-17-3-5-21-41(38)48)61-59(63-60)49-27-15-20-39-18-4-6-22-42(39)49/h2-36H,1H3
• InChIKey: CGRYSMOWZOURAO-UHFFFAOYSA-N
• XLogP: 15.11
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.01
LogP ≤ 5	15.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 11-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(2-methylphenyl)indolo[2,3-a]carbazole?

The IUPAC name of 11-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(2-methylphenyl)indolo[2,3-a]carbazole (CID 58556572) is 11-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(2-methylphenyl)indolo[2,3-a]carbazole.

What is the SMILES notation for 11-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(2-methylphenyl)indolo[2,3-a]carbazole?

The canonical SMILES for 11-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(2-methylphenyl)indolo[2,3-a]carbazole is Cc1ccccc1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)c3c21.

What is the InChIKey of 11-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(2-methylphenyl)indolo[2,3-a]carbazole?

The InChIKey is CGRYSMOWZOURAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N6/c1-37-16-2-10-28-51(37)65-53-30-12-8-24-44(53)47-34-33-46-43-23-7-11-29-52(43)64(56(46)57(47)65)40-32-35-55-50(36-40)45-25-9-13-31-54(45)66(55)60-62-58(48-26-14-19-38-17-3-5-21-41(38)48)61-59(63-60)49-27-15-20-39-18-4-6-22-42(39)49/h2-36H,1H3.

What are the key properties of 11-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(2-methylphenyl)indolo[2,3-a]carbazole?

11-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(2-methylphenyl)indolo[2,3-a]carbazole has a molecular weight of 843.01 g/mol, XLogP of 15.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(2-methylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 58556572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).