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

C92H54F3N15 — CID 162610989

IUPAC2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3cc(-c4ncnc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)cc(-c2cccc(C(F)(F)F)c2)cc1-n1c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C92H54F3N15/c93-92(94,95)69-38-22-37-63(47-69)68-52-79(109-75-48-64(82-98-55-97-81(99-82)56-23-8-1-9-24-56)39-43-70(75)71-44-40-65(49-76(71)109)89-103-83(57-25-10-2-11-26-57)100-84(104-89)58-27-12-3-13-28-58)74(54-96)80(53-68)110-77-50-66(90-105-85(59-29-14-4-15-30-59)101-86(106-90)60-31-16-5-17-32-60)41-45-72(77)73-46-42-67(51-78(73)110)91-107-87(61-33-18-6-19-34-61)102-88(108-91)62-35-20-7-21-36-62/h1-53,55H
InChIKeyZMYRRVBJJSWJAU-UHFFFAOYSA-N
MW1426.54 g/mol
LogP21.52
Rot. Bonds14

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

2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 162610989) has the molecular formula C92H54F3N15 and a molecular weight of 1426.54 g/mol. Its IUPAC name is 2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
PubChem CID162610989
Molecular FormulaC92H54F3N15
Molecular Weight1426.54 g/mol
Exact Mass1425.46
IUPAC Name2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3cc(-c4ncnc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)cc(-c2cccc(C(F)(F)F)c2)cc1-n1c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C92H54F3N15/c93-92(94,95)69-38-22-37-63(47-69)68-52-79(109-75-48-64(82-98-55-97-81(99-82)56-23-8-1-9-24-56)39-43-70(75)71-44-40-65(49-76(71)109)89-103-83(57-25-10-2-11-26-57)100-84(104-89)58-27-12-3-13-28-58)74(54-96)80(53-68)110-77-50-66(90-105-85(59-29-14-4-15-30-59)101-86(106-90)60-31-16-5-17-32-60)41-45-72(77)73-46-42-67(51-78(73)110)91-107-87(61-33-18-6-19-34-61)102-88(108-91)62-35-20-7-21-36-62/h1-53,55H
InChIKeyZMYRRVBJJSWJAU-UHFFFAOYSA-N
XLogP21.52
TPSA188.33 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001426.54
LogP ≤ 521.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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

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Related Compounds

2,6-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile
CID 147670061
2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 159473488
2,6-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142502030
2-[3,5-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486398
3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile
CID 138486655
2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134320998
4-[3,5-bis(trifluoromethyl)phenyl]-2,6-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 134300631
2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377522
2,6-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile
CID 161471761
4-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 134300604
2,6-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 142508590
2,6-bis[3-(trifluoromethyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 162571728

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]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile (CID 162610989) is 2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile is N#Cc1c(-n2c3cc(-c4ncnc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)cc(-c2cccc(C(F)(F)F)c2)cc1-n1c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is ZMYRRVBJJSWJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H54F3N15/c93-92(94,95)69-38-22-37-63(47-69)68-52-79(109-75-48-64(82-98-55-97-81(99-82)56-23-8-1-9-24-56)39-43-70(75)71-44-40-65(49-76(71)109)89-103-83(57-25-10-2-11-26-57)100-84(104-89)58-27-12-3-13-28-58)74(54-96)80(53-68)110-77-50-66(90-105-85(59-29-14-4-15-30-59)101-86(106-90)60-31-16-5-17-32-60)41-45-72(77)73-46-42-67(51-78(73)110)91-107-87(61-33-18-6-19-34-61)102-88(108-91)62-35-20-7-21-36-62/h1-53,55H.
What are the key properties of 2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile?
2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 1426.54 g/mol, XLogP of 21.52, 14 rotatable bonds, 0 hydrogen bond donors, and 15 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]-6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 162610989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).