5-[6-(2-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole

C48H36N6 — CID 163596227

About 5-[6-(2-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole

5-[6-(2-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 163596227) has the molecular formula C48H36N6 and a molecular weight of 696.86 g/mol. Its IUPAC name is 5-[6-(2-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-[6-(2-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole
• PubChem CID: 163596227
• Molecular Formula: C48H36N6
• Molecular Weight: 696.86 g/mol
• Exact Mass: 696.30
• IUPAC Name: 5-[6-(2-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole
• SMILES: C1=CC(n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)NC(C2=NC(c3ccccc3)NC(c3cccc4ccccc34)N2)=C1
• InChI: InChI=1S/C48H36N6/c1-3-16-32(17-4-1)46-50-47(37-24-13-18-31-15-7-8-21-34(31)37)52-48(51-46)40-25-14-28-45(49-40)54-42-27-12-10-23-36(42)39-29-38-35-22-9-11-26-41(35)53(43(38)30-44(39)54)33-19-5-2-6-20-33/h1-30,45-47,49-50H,(H,51,52)
• InChIKey: JRQPMQPIVRSIJA-UHFFFAOYSA-N
• XLogP: 10.58
• TPSA: 58.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.86
LogP ≤ 5	10.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole?

The IUPAC name of 5-[6-(2-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole (CID 163596227) is 5-[6-(2-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole.

What is the SMILES notation for 5-[6-(2-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole?

The canonical SMILES for 5-[6-(2-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole is C1=CC(n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)NC(C2=NC(c3ccccc3)NC(c3cccc4ccccc34)N2)=C1.

What is the InChIKey of 5-[6-(2-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole?

The InChIKey is JRQPMQPIVRSIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N6/c1-3-16-32(17-4-1)46-50-47(37-24-13-18-31-15-7-8-21-34(31)37)52-48(51-46)40-25-14-28-45(49-40)54-42-27-12-10-23-36(42)39-29-38-35-22-9-11-26-41(35)53(43(38)30-44(39)54)33-19-5-2-6-20-33/h1-30,45-47,49-50H,(H,51,52).

What are the key properties of 5-[6-(2-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole?

5-[6-(2-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 696.86 g/mol, XLogP of 10.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(2-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 163596227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).