2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile

C93H53F3N16 — CID 137381572

IUPAC2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3cc(-c4ncnc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c(C#N)c(-n2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c1
InChIInChI=1S/C93H53F3N16/c94-93(95,96)74-38-22-37-67(53-97)81(74)68-51-79(111-75-47-63(83-100-55-99-82(101-83)56-23-8-1-9-24-56)39-43-69(75)70-44-40-64(48-76(70)111)90-105-84(57-25-10-2-11-26-57)102-85(106-90)58-27-12-3-13-28-58)73(54-98)80(52-68)112-77-49-65(91-107-86(59-29-14-4-15-30-59)103-87(108-91)60-31-16-5-17-32-60)41-45-71(77)72-46-42-66(50-78(72)112)92-109-88(61-33-18-6-19-34-61)104-89(110-92)62-35-20-7-21-36-62/h1-52,55H
InChIKeyYXTNBMSTQYRFNL-UHFFFAOYSA-N
MW1451.55 g/mol
LogP21.39
Rot. Bonds14

About 2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile

2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile (PubChem CID 137381572) has the molecular formula C93H53F3N16 and a molecular weight of 1451.55 g/mol. Its IUPAC name is 2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
PubChem CID137381572
Molecular FormulaC93H53F3N16
Molecular Weight1451.55 g/mol
Exact Mass1450.46
IUPAC Name2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3cc(-c4ncnc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c(C#N)c(-n2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c1
InChIInChI=1S/C93H53F3N16/c94-93(95,96)74-38-22-37-67(53-97)81(74)68-51-79(111-75-47-63(83-100-55-99-82(101-83)56-23-8-1-9-24-56)39-43-69(75)70-44-40-64(48-76(70)111)90-105-84(57-25-10-2-11-26-57)102-85(106-90)58-27-12-3-13-28-58)73(54-98)80(52-68)112-77-49-65(91-107-86(59-29-14-4-15-30-59)103-87(108-91)60-31-16-5-17-32-60)41-45-71(77)72-46-42-66(50-78(72)112)92-109-88(61-33-18-6-19-34-61)104-89(110-92)62-35-20-7-21-36-62/h1-52,55H
InChIKeyYXTNBMSTQYRFNL-UHFFFAOYSA-N
XLogP21.39
TPSA212.12 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001451.55
LogP ≤ 521.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile (CID 137381572) is 2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile is N#Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3cc(-c4ncnc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c(C#N)c(-n2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c1.
What is the InChIKey of 2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile?
The InChIKey is YXTNBMSTQYRFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H53F3N16/c94-93(95,96)74-38-22-37-67(53-97)81(74)68-51-79(111-75-47-63(83-100-55-99-82(101-83)56-23-8-1-9-24-56)39-43-69(75)70-44-40-64(48-76(70)111)90-105-84(57-25-10-2-11-26-57)102-85(106-90)58-27-12-3-13-28-58)73(54-98)80(52-68)112-77-49-65(91-107-86(59-29-14-4-15-30-59)103-87(108-91)60-31-16-5-17-32-60)41-45-71(77)72-46-42-66(50-78(72)112)92-109-88(61-33-18-6-19-34-61)104-89(110-92)62-35-20-7-21-36-62/h1-52,55H.
What are the key properties of 2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile?
2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile has a molecular weight of 1451.55 g/mol, XLogP of 21.39, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 137381572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).