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

C93H53F6N15 — CID 134287531

IUPAC5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-n2c3ccc(-c4ncnc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C93H53F6N15/c94-92(95,96)68-44-66(45-69(51-68)93(97,98)99)70-52-80(114-77-40-36-62(82-102-54-101-81(103-82)55-22-8-1-9-23-55)46-71(77)72-47-65(39-43-78(72)114)91-111-87(60-32-18-6-19-33-60)106-88(112-91)61-34-20-7-21-35-61)79(50-67(70)53-100)113-75-41-37-63(89-107-83(56-24-10-2-11-25-56)104-84(108-89)57-26-12-3-13-27-57)48-73(75)74-49-64(38-42-76(74)113)90-109-85(58-28-14-4-15-29-58)105-86(110-90)59-30-16-5-17-31-59/h1-52,54H
InChIKeyUWGOTECKJCMQCY-UHFFFAOYSA-N
MW1494.54 g/mol
LogP22.53
Rot. Bonds14

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

5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile (PubChem CID 134287531) has the molecular formula C93H53F6N15 and a molecular weight of 1494.54 g/mol. Its IUPAC name is 5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
PubChem CID134287531
Molecular FormulaC93H53F6N15
Molecular Weight1494.54 g/mol
Exact Mass1493.45
IUPAC Name5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-n2c3ccc(-c4ncnc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C93H53F6N15/c94-92(95,96)68-44-66(45-69(51-68)93(97,98)99)70-52-80(114-77-40-36-62(82-102-54-101-81(103-82)55-22-8-1-9-23-55)46-71(77)72-47-65(39-43-78(72)114)91-111-87(60-32-18-6-19-33-60)106-88(112-91)61-34-20-7-21-35-61)79(50-67(70)53-100)113-75-41-37-63(89-107-83(56-24-10-2-11-25-56)104-84(108-89)57-26-12-3-13-27-57)48-73(75)74-49-64(38-42-76(74)113)90-109-85(58-28-14-4-15-29-58)105-86(110-90)59-30-16-5-17-31-59/h1-52,54H
InChIKeyUWGOTECKJCMQCY-UHFFFAOYSA-N
XLogP22.53
TPSA188.33 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001494.54
LogP ≤ 522.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(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 5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile?
The IUPAC name of 5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile (CID 134287531) is 5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile is N#Cc1cc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-n2c3ccc(-c4ncnc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile?
The InChIKey is UWGOTECKJCMQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H53F6N15/c94-92(95,96)68-44-66(45-69(51-68)93(97,98)99)70-52-80(114-77-40-36-62(82-102-54-101-81(103-82)55-22-8-1-9-23-55)46-71(77)72-47-65(39-43-78(72)114)91-111-87(60-32-18-6-19-33-60)106-88(112-91)61-34-20-7-21-35-61)79(50-67(70)53-100)113-75-41-37-63(89-107-83(56-24-10-2-11-25-56)104-84(108-89)57-26-12-3-13-27-57)48-73(75)74-49-64(38-42-76(74)113)90-109-85(58-28-14-4-15-29-58)105-86(110-90)59-30-16-5-17-31-59/h1-52,54H.
What are the key properties of 5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile?
5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile has a molecular weight of 1494.54 g/mol, XLogP of 22.53, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 134287531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).