5-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-10H-cyclohepta[b]indole

C58H38N6 — CID 144673812

About 5-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-10H-cyclohepta[b]indole

5-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-10H-cyclohepta[b]indole (PubChem CID 144673812) has the molecular formula C58H38N6 and a molecular weight of 818.98 g/mol. Its IUPAC name is 5-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-10H-cyclohepta[b]indole.

Molecular Properties

• Compound Name: 5-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-10H-cyclohepta[b]indole
• PubChem CID: 144673812
• Molecular Formula: C58H38N6
• Molecular Weight: 818.98 g/mol
• Exact Mass: 818.32
• IUPAC Name: 5-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-10H-cyclohepta[b]indole
• SMILES: C1=CCc2c(n(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6ccccc65)ccc3n4-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc23)C=C1
• InChI: InChI=1S/C58H38N6/c1-4-16-38(17-5-1)56-59-57(39-18-6-2-7-19-39)61-58(60-56)40-28-30-41(31-29-40)62-54-34-32-42(63-50-24-9-3-8-20-44(50)45-21-10-13-25-51(45)63)36-48(54)49-37-43(33-35-55(49)62)64-52-26-14-11-22-46(52)47-23-12-15-27-53(47)64/h1-19,21-37H,20H2
• InChIKey: UOZTYDUWUBGPCM-UHFFFAOYSA-N
• XLogP: 14.14
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.98
LogP ≤ 5	14.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-10H-cyclohepta[b]indole?

The IUPAC name of 5-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-10H-cyclohepta[b]indole (CID 144673812) is 5-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-10H-cyclohepta[b]indole.

What is the SMILES notation for 5-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-10H-cyclohepta[b]indole?

The canonical SMILES for 5-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-10H-cyclohepta[b]indole is C1=CCc2c(n(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6ccccc65)ccc3n4-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc23)C=C1.

What is the InChIKey of 5-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-10H-cyclohepta[b]indole?

The InChIKey is UOZTYDUWUBGPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N6/c1-4-16-38(17-5-1)56-59-57(39-18-6-2-7-19-39)61-58(60-56)40-28-30-41(31-29-40)62-54-34-32-42(63-50-24-9-3-8-20-44(50)45-21-10-13-25-51(45)63)36-48(54)49-37-43(33-35-55(49)62)64-52-26-14-11-22-46(52)47-23-12-15-27-53(47)64/h1-19,21-37H,20H2.

What are the key properties of 5-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-10H-cyclohepta[b]indole?

5-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-10H-cyclohepta[b]indole has a molecular weight of 818.98 g/mol, XLogP of 14.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-10H-cyclohepta[b]indole is sourced from PubChem (CID 144673812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).