2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-cyano-5-(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 137386618

IUPAC2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-cyano-5-(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#Cc1cc(-c2cc(-n3c4cc(-c5ncnc(-c6ccccc6)n5)ccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c(C#N)c(-n3c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C93H53F3N16/c94-93(95,96)70-45-56(53-97)44-68(46-70)69-51-80(111-76-47-64(83-100-55-99-82(101-83)57-22-8-1-9-23-57)36-40-71(76)72-41-37-65(48-77(72)111)90-105-84(58-24-10-2-11-25-58)102-85(106-90)59-26-12-3-13-27-59)75(54-98)81(52-69)112-78-49-66(91-107-86(60-28-14-4-15-29-60)103-87(108-91)61-30-16-5-17-31-61)38-42-73(78)74-43-39-67(50-79(74)112)92-109-88(62-32-18-6-19-33-62)104-89(110-92)63-34-20-7-21-35-63/h1-52,55H
InChIKeyJYMMGNLUSPJOLA-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-[3-cyano-5-(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-[3-cyano-5-(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 137386618) 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-[3-cyano-5-(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-[3-cyano-5-(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 CID137386618
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-[3-cyano-5-(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#Cc1cc(-c2cc(-n3c4cc(-c5ncnc(-c6ccccc6)n5)ccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c(C#N)c(-n3c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C93H53F3N16/c94-93(95,96)70-45-56(53-97)44-68(46-70)69-51-80(111-76-47-64(83-100-55-99-82(101-83)57-22-8-1-9-23-57)36-40-71(76)72-41-37-65(48-77(72)111)90-105-84(58-24-10-2-11-25-58)102-85(106-90)59-26-12-3-13-27-59)75(54-98)81(52-69)112-78-49-66(91-107-86(60-28-14-4-15-29-60)103-87(108-91)61-30-16-5-17-31-61)38-42-73(78)74-43-39-67(50-79(74)112)92-109-88(62-32-18-6-19-33-62)104-89(110-92)63-34-20-7-21-35-63/h1-52,55H
InChIKeyJYMMGNLUSPJOLA-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-[3-cyano-5-(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-[3-cyano-5-(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-[3-cyano-5-(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 137386618) is 2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-cyano-5-(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-[3-cyano-5-(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-[3-cyano-5-(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#Cc1cc(-c2cc(-n3c4cc(-c5ncnc(-c6ccccc6)n5)ccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c(C#N)c(-n3c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-cyano-5-(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 JYMMGNLUSPJOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H53F3N16/c94-93(95,96)70-45-56(53-97)44-68(46-70)69-51-80(111-76-47-64(83-100-55-99-82(101-83)57-22-8-1-9-23-57)36-40-71(76)72-41-37-65(48-77(72)111)90-105-84(58-24-10-2-11-25-58)102-85(106-90)59-26-12-3-13-27-59)75(54-98)81(52-69)112-78-49-66(91-107-86(60-28-14-4-15-29-60)103-87(108-91)61-30-16-5-17-31-61)38-42-73(78)74-43-39-67(50-79(74)112)92-109-88(62-32-18-6-19-33-62)104-89(110-92)63-34-20-7-21-35-63/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-[3-cyano-5-(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-[3-cyano-5-(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-[3-cyano-5-(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 137386618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).