11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-5-[phenyl(pyridin-2-yl)methyl]-N-pyridin-2-ylbenzo[a]carbazol-8-amine

C60H41N7 — CID 163661344

About 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-5-[phenyl(pyridin-2-yl)methyl]-N-pyridin-2-ylbenzo[a]carbazol-8-amine

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-5-[phenyl(pyridin-2-yl)methyl]-N-pyridin-2-ylbenzo[a]carbazol-8-amine (PubChem CID 163661344) has the molecular formula C60H41N7 and a molecular weight of 860.04 g/mol. Its IUPAC name is 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-5-[phenyl(pyridin-2-yl)methyl]-N-pyridin-2-ylbenzo[a]carbazol-8-amine.

Molecular Properties

• Compound Name: 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-5-[phenyl(pyridin-2-yl)methyl]-N-pyridin-2-ylbenzo[a]carbazol-8-amine
• PubChem CID: 163661344
• Molecular Formula: C60H41N7
• Molecular Weight: 860.04 g/mol
• Exact Mass: 859.34
• IUPAC Name: 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-5-[phenyl(pyridin-2-yl)methyl]-N-pyridin-2-ylbenzo[a]carbazol-8-amine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(N(c6ccccc6)c6ccccn6)cc5c5cc(C(c6ccccc6)c6ccccn6)c6ccccc6c54)c3)n2)cc1
• InChI: InChI=1S/C60H41N7/c1-5-20-41(21-6-1)56(53-32-15-17-36-61-53)51-40-52-50-39-47(66(45-27-11-4-12-28-45)55-33-16-18-37-62-55)34-35-54(50)67(57(52)49-31-14-13-30-48(49)51)46-29-19-26-44(38-46)60-64-58(42-22-7-2-8-23-42)63-59(65-60)43-24-9-3-10-25-43/h1-40,56H
• InChIKey: IUQMYXGBEXOHAA-UHFFFAOYSA-N
• XLogP: 14.56
• TPSA: 72.62 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	860.04
LogP ≤ 5	14.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-5-[phenyl(pyridin-2-yl)methyl]-N-pyridin-2-ylbenzo[a]carbazol-8-amine?

The IUPAC name of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-5-[phenyl(pyridin-2-yl)methyl]-N-pyridin-2-ylbenzo[a]carbazol-8-amine (CID 163661344) is 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-5-[phenyl(pyridin-2-yl)methyl]-N-pyridin-2-ylbenzo[a]carbazol-8-amine.

What is the SMILES notation for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-5-[phenyl(pyridin-2-yl)methyl]-N-pyridin-2-ylbenzo[a]carbazol-8-amine?

The canonical SMILES for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-5-[phenyl(pyridin-2-yl)methyl]-N-pyridin-2-ylbenzo[a]carbazol-8-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(N(c6ccccc6)c6ccccn6)cc5c5cc(C(c6ccccc6)c6ccccn6)c6ccccc6c54)c3)n2)cc1.

What is the InChIKey of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-5-[phenyl(pyridin-2-yl)methyl]-N-pyridin-2-ylbenzo[a]carbazol-8-amine?

The InChIKey is IUQMYXGBEXOHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N7/c1-5-20-41(21-6-1)56(53-32-15-17-36-61-53)51-40-52-50-39-47(66(45-27-11-4-12-28-45)55-33-16-18-37-62-55)34-35-54(50)67(57(52)49-31-14-13-30-48(49)51)46-29-19-26-44(38-46)60-64-58(42-22-7-2-8-23-42)63-59(65-60)43-24-9-3-10-25-43/h1-40,56H.

What are the key properties of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-5-[phenyl(pyridin-2-yl)methyl]-N-pyridin-2-ylbenzo[a]carbazol-8-amine?

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-5-[phenyl(pyridin-2-yl)methyl]-N-pyridin-2-ylbenzo[a]carbazol-8-amine has a molecular weight of 860.04 g/mol, XLogP of 14.56, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-5-[phenyl(pyridin-2-yl)methyl]-N-pyridin-2-ylbenzo[a]carbazol-8-amine is sourced from PubChem (CID 163661344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).