12-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-3,4,9,10-tetrahydroindolo[2,3-a]carbazole

C51H39N5 — CID 170024945

About 12-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-3,4,9,10-tetrahydroindolo[2,3-a]carbazole

12-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-3,4,9,10-tetrahydroindolo[2,3-a]carbazole (PubChem CID 170024945) has the molecular formula C51H39N5 and a molecular weight of 721.91 g/mol. Its IUPAC name is 12-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-3,4,9,10-tetrahydroindolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-3,4,9,10-tetrahydroindolo[2,3-a]carbazole
• PubChem CID: 170024945
• Molecular Formula: C51H39N5
• Molecular Weight: 721.91 g/mol
• Exact Mass: 721.32
• IUPAC Name: 12-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-3,4,9,10-tetrahydroindolo[2,3-a]carbazole
• SMILES: C1=CC(c2cccc(-c3nc(-c4ccccc4)nc(-n4c5c(c6ccc7c8c(n(-c9cccc(-c%10ccccc%10)c9)c7c64)CCC=C8)CCC=C5)n3)c2)=CCC1
• InChI: InChI=1S/C51H39N5/c1-4-16-34(17-5-1)37-22-14-24-39(32-37)50-52-49(36-20-8-3-9-21-36)53-51(54-50)56-46-29-13-11-27-42(46)44-31-30-43-41-26-10-12-28-45(41)55(47(43)48(44)56)40-25-15-23-38(33-40)35-18-6-2-7-19-35/h2-4,6-10,13-26,29-33H,1,5,11-12,27-28H2
• InChIKey: GQCQRSGEEHPMGA-UHFFFAOYSA-N
• XLogP: 12.41
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.91
LogP ≤ 5	12.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 12-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-3,4,9,10-tetrahydroindolo[2,3-a]carbazole?

The IUPAC name of 12-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-3,4,9,10-tetrahydroindolo[2,3-a]carbazole (CID 170024945) is 12-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-3,4,9,10-tetrahydroindolo[2,3-a]carbazole.

What is the SMILES notation for 12-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-3,4,9,10-tetrahydroindolo[2,3-a]carbazole?

The canonical SMILES for 12-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-3,4,9,10-tetrahydroindolo[2,3-a]carbazole is C1=CC(c2cccc(-c3nc(-c4ccccc4)nc(-n4c5c(c6ccc7c8c(n(-c9cccc(-c%10ccccc%10)c9)c7c64)CCC=C8)CCC=C5)n3)c2)=CCC1.

What is the InChIKey of 12-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-3,4,9,10-tetrahydroindolo[2,3-a]carbazole?

The InChIKey is GQCQRSGEEHPMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N5/c1-4-16-34(17-5-1)37-22-14-24-39(32-37)50-52-49(36-20-8-3-9-21-36)53-51(54-50)56-46-29-13-11-27-42(46)44-31-30-43-41-26-10-12-28-45(41)55(47(43)48(44)56)40-25-15-23-38(33-40)35-18-6-2-7-19-35/h2-4,6-10,13-26,29-33H,1,5,11-12,27-28H2.

What are the key properties of 12-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-3,4,9,10-tetrahydroindolo[2,3-a]carbazole?

12-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-3,4,9,10-tetrahydroindolo[2,3-a]carbazole has a molecular weight of 721.91 g/mol, XLogP of 12.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-3,4,9,10-tetrahydroindolo[2,3-a]carbazole is sourced from PubChem (CID 170024945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).