11-(3,5-diphenylphenyl)-12-[4-phenyl-2-[3-(6-phenyl-2-pyridinyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole

C62H42N6 — CID 166922878

About 11-(3,5-diphenylphenyl)-12-[4-phenyl-2-[3-(6-phenyl-2-pyridinyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole

11-(3,5-diphenylphenyl)-12-[4-phenyl-2-[3-(6-phenyl-2-pyridinyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole (PubChem CID 166922878) has the molecular formula C62H42N6 and a molecular weight of 871.06 g/mol. Its IUPAC name is 11-(3,5-diphenylphenyl)-12-[4-phenyl-2-[3-(6-phenyl-2-pyridinyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-(3,5-diphenylphenyl)-12-[4-phenyl-2-[3-(6-phenyl-2-pyridinyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
• PubChem CID: 166922878
• Molecular Formula: C62H42N6
• Molecular Weight: 871.06 g/mol
• Exact Mass: 870.35
• IUPAC Name: 11-(3,5-diphenylphenyl)-12-[4-phenyl-2-[3-(6-phenyl-2-pyridinyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
• SMILES: c1ccc(C2=NC(c3cccc(-c4cccc(-c5ccccc5)n4)c3)NC(n3c4ccccc4c4ccc5c6ccccc6n(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5c43)=N2)cc1
• InChI: InChI=1S/C62H42N6/c1-5-19-41(20-6-1)47-38-48(42-21-7-2-8-22-42)40-49(39-47)67-56-33-15-13-29-50(56)52-35-36-53-51-30-14-16-34-57(51)68(59(53)58(52)67)62-65-60(44-25-11-4-12-26-44)64-61(66-62)46-28-17-27-45(37-46)55-32-18-31-54(63-55)43-23-9-3-10-24-43/h1-40,61H,(H,64,65,66)
• InChIKey: JOUINTNPPUHVMJ-UHFFFAOYSA-N
• XLogP: 14.91
• TPSA: 59.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.06
LogP ≤ 5	14.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 11-(3,5-diphenylphenyl)-12-[4-phenyl-2-[3-(6-phenyl-2-pyridinyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole?

The IUPAC name of 11-(3,5-diphenylphenyl)-12-[4-phenyl-2-[3-(6-phenyl-2-pyridinyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole (CID 166922878) is 11-(3,5-diphenylphenyl)-12-[4-phenyl-2-[3-(6-phenyl-2-pyridinyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole.

What is the SMILES notation for 11-(3,5-diphenylphenyl)-12-[4-phenyl-2-[3-(6-phenyl-2-pyridinyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole?

The canonical SMILES for 11-(3,5-diphenylphenyl)-12-[4-phenyl-2-[3-(6-phenyl-2-pyridinyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole is c1ccc(C2=NC(c3cccc(-c4cccc(-c5ccccc5)n4)c3)NC(n3c4ccccc4c4ccc5c6ccccc6n(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5c43)=N2)cc1.

What is the InChIKey of 11-(3,5-diphenylphenyl)-12-[4-phenyl-2-[3-(6-phenyl-2-pyridinyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole?

The InChIKey is JOUINTNPPUHVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N6/c1-5-19-41(20-6-1)47-38-48(42-21-7-2-8-22-42)40-49(39-47)67-56-33-15-13-29-50(56)52-35-36-53-51-30-14-16-34-57(51)68(59(53)58(52)67)62-65-60(44-25-11-4-12-26-44)64-61(66-62)46-28-17-27-45(37-46)55-32-18-31-54(63-55)43-23-9-3-10-24-43/h1-40,61H,(H,64,65,66).

What are the key properties of 11-(3,5-diphenylphenyl)-12-[4-phenyl-2-[3-(6-phenyl-2-pyridinyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole?

11-(3,5-diphenylphenyl)-12-[4-phenyl-2-[3-(6-phenyl-2-pyridinyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole has a molecular weight of 871.06 g/mol, XLogP of 14.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(3,5-diphenylphenyl)-12-[4-phenyl-2-[3-(6-phenyl-2-pyridinyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 166922878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).