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

C44H36N6 — CID 166750479

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

5-[5-(2-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 166750479) has the molecular formula C44H36N6 and a molecular weight of 648.81 g/mol. Its IUPAC name is 5-[5-(2-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-[5-(2-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole
• PubChem CID: 166750479
• Molecular Formula: C44H36N6
• Molecular Weight: 648.81 g/mol
• Exact Mass: 648.30
• IUPAC Name: 5-[5-(2-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole
• SMILES: C1=CC(C2NC(c3ccccc3)=NC(C3=CNC(n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)C=C3)N2)=CCC1
• InChI: InChI=1S/C44H36N6/c1-4-14-29(15-5-1)42-46-43(30-16-6-2-7-17-30)48-44(47-42)31-24-25-41(45-28-31)50-38-23-13-11-21-34(38)36-26-35-33-20-10-12-22-37(33)49(39(35)27-40(36)50)32-18-8-3-9-19-32/h1,3-6,8-28,41,43-45,48H,2,7H2,(H,46,47)
• InChIKey: MJTUWDXRFZSQFL-UHFFFAOYSA-N
• XLogP: 9.00
• TPSA: 58.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.81
LogP ≤ 5	9.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[5-(2-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole (CID 166750479) is 5-[5-(2-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole.

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

The canonical SMILES for 5-[5-(2-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole is C1=CC(C2NC(c3ccccc3)=NC(C3=CNC(n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)C=C3)N2)=CCC1.

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

The InChIKey is MJTUWDXRFZSQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N6/c1-4-14-29(15-5-1)42-46-43(30-16-6-2-7-17-30)48-44(47-42)31-24-25-41(45-28-31)50-38-23-13-11-21-34(38)36-26-35-33-20-10-12-22-37(33)49(39(35)27-40(36)50)32-18-8-3-9-19-32/h1,3-6,8-28,41,43-45,48H,2,7H2,(H,46,47).

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

5-[5-(2-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 648.81 g/mol, XLogP of 9.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(2-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 166750479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).