3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile

C58H35N7 — CID 134476143

About 3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile

3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (PubChem CID 134476143) has the molecular formula C58H35N7 and a molecular weight of 829.97 g/mol. Its IUPAC name is 3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.

Molecular Properties

• Compound Name: 3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
• PubChem CID: 134476143
• Molecular Formula: C58H35N7
• Molecular Weight: 829.97 g/mol
• Exact Mass: 829.30
• IUPAC Name: 3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
• SMILES: N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
• InChI: InChI=1S/C58H35N7/c59-36-37-27-30-46(58-61-56(38-15-3-1-4-16-38)60-57(62-58)39-17-5-2-6-18-39)55(33-37)65-53-31-28-40(63-49-23-11-7-19-42(49)43-20-8-12-24-50(43)63)34-47(53)48-35-41(29-32-54(48)65)64-51-25-13-9-21-44(51)45-22-10-14-26-52(45)64/h1-35H
• InChIKey: RFWMMMTVVGSHSM-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 3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?

The IUPAC name of 3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (CID 134476143) is 3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.

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

The canonical SMILES for 3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.

What is the InChIKey of 3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?

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

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

3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-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 3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is sourced from PubChem (CID 134476143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).