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

C60H34F3N7 — CID 164743988

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

4-[2-[3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]-3-(trifluoromethyl)benzonitrile (PubChem CID 164743988) has the molecular formula C60H34F3N7 and a molecular weight of 909.98 g/mol. Its IUPAC name is 4-[2-[3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]-3-(trifluoromethyl)benzonitrile.

Molecular Properties

• Compound Name: 4-[2-[3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]-3-(trifluoromethyl)benzonitrile
• PubChem CID: 164743988
• Molecular Formula: C60H34F3N7
• Molecular Weight: 909.98 g/mol
• Exact Mass: 909.28
• IUPAC Name: 4-[2-[3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]-3-(trifluoromethyl)benzonitrile
• SMILES: N#Cc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(-n5c6ccccc6c6ccccc65)c4)ccc32)c(-c2ccc(C#N)cc2C(F)(F)F)c1
• InChI: InChI=1S/C60H34F3N7/c61-60(62,63)51-30-38(36-65)23-26-45(51)49-29-37(35-64)24-27-55(49)70-54-22-12-9-19-48(54)50-34-41(25-28-56(50)70)42-31-43(33-44(32-42)69-52-20-10-7-17-46(52)47-18-8-11-21-53(47)69)59-67-57(39-13-3-1-4-14-39)66-58(68-59)40-15-5-2-6-16-40/h1-34H
• InChIKey: QUBAWNJNEGRSOZ-UHFFFAOYSA-N
• XLogP: 15.16
• TPSA: 96.11 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.98
LogP ≤ 5	15.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]-3-(trifluoromethyl)benzonitrile?

The IUPAC name of 4-[2-[3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]-3-(trifluoromethyl)benzonitrile (CID 164743988) is 4-[2-[3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]-3-(trifluoromethyl)benzonitrile.

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

The canonical SMILES for 4-[2-[3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]-3-(trifluoromethyl)benzonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(-n5c6ccccc6c6ccccc65)c4)ccc32)c(-c2ccc(C#N)cc2C(F)(F)F)c1.

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

The InChIKey is QUBAWNJNEGRSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34F3N7/c61-60(62,63)51-30-38(36-65)23-26-45(51)49-29-37(35-64)24-27-55(49)70-54-22-12-9-19-48(54)50-34-41(25-28-56(50)70)42-31-43(33-44(32-42)69-52-20-10-7-17-46(52)47-18-8-11-21-53(47)69)59-67-57(39-13-3-1-4-14-39)66-58(68-59)40-15-5-2-6-16-40/h1-34H.

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

4-[2-[3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]-3-(trifluoromethyl)benzonitrile has a molecular weight of 909.98 g/mol, XLogP of 15.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 164743988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).