5-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile

C58H35N7 — CID 163238684

About 5-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile

5-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (PubChem CID 163238684) has the molecular formula C58H35N7 and a molecular weight of 829.97 g/mol. Its IUPAC name is 5-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.

Molecular Properties

• Compound Name: 5-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
• PubChem CID: 163238684
• Molecular Formula: C58H35N7
• Molecular Weight: 829.97 g/mol
• Exact Mass: 829.30
• IUPAC Name: 5-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
• SMILES: N#Cc1cc(-c2nc(-c3ccccc3-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)n2)ccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21
• InChI: InChI=1S/C58H35N7/c59-36-39-35-38(31-33-48(39)64-49-27-13-11-24-44(49)45-32-34-53-54(55(45)64)47-26-12-16-30-52(47)63(53)40-19-5-2-6-20-40)56-60-57(46-25-8-7-21-41(46)37-17-3-1-4-18-37)62-58(61-56)65-50-28-14-9-22-42(50)43-23-10-15-29-51(43)65/h1-35H
• InChIKey: ADBLCLDNPWJMPQ-UHFFFAOYSA-N
• XLogP: 14.04
• TPSA: 77.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.97
LogP ≤ 5	14.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?

The IUPAC name of 5-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (CID 163238684) is 5-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.

What is the SMILES notation for 5-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?

The canonical SMILES for 5-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is N#Cc1cc(-c2nc(-c3ccccc3-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)n2)ccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21.

What is the InChIKey of 5-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?

The InChIKey is ADBLCLDNPWJMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N7/c59-36-39-35-38(31-33-48(39)64-49-27-13-11-24-44(49)45-32-34-53-54(55(45)64)47-26-12-16-30-52(47)63(53)40-19-5-2-6-20-40)56-60-57(46-25-8-7-21-41(46)37-17-3-1-4-18-37)62-58(61-56)65-50-28-14-9-22-42(50)43-23-10-15-29-51(43)65/h1-35H.

What are the key properties of 5-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?

5-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile has a molecular weight of 829.97 g/mol, XLogP of 14.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is sourced from PubChem (CID 163238684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).