3-[4-[5-cyano-2-(2,7-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(2,7-diphenylcarbazol-9-yl)benzonitrile

C71H43N7 — CID 138713564

IUPAC3-[4-[5-cyano-2-(2,7-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(2,7-diphenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1ccc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C#N)ccc3-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)n2)c1
InChIInChI=1S/C71H43N7/c72-44-46-26-36-63(77-65-40-53(48-16-6-1-7-17-48)28-32-57(65)58-33-29-54(41-66(58)77)49-18-8-2-9-19-49)61(38-46)70-74-69(52-24-14-5-15-25-52)75-71(76-70)62-39-47(45-73)27-37-64(62)78-67-42-55(50-20-10-3-11-21-50)30-34-59(67)60-35-31-56(43-68(60)78)51-22-12-4-13-23-51/h1-43H
InChIKeyZEBZWKSTFKYCKM-UHFFFAOYSA-N
MW994.17 g/mol
LogP17.48
Rot. Bonds9

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

3-[4-[5-cyano-2-(2,7-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(2,7-diphenylcarbazol-9-yl)benzonitrile (PubChem CID 138713564) has the molecular formula C71H43N7 and a molecular weight of 994.17 g/mol. Its IUPAC name is 3-[4-[5-cyano-2-(2,7-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(2,7-diphenylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name3-[4-[5-cyano-2-(2,7-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(2,7-diphenylcarbazol-9-yl)benzonitrile
PubChem CID138713564
Molecular FormulaC71H43N7
Molecular Weight994.17 g/mol
Exact Mass993.36
IUPAC Name3-[4-[5-cyano-2-(2,7-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(2,7-diphenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1ccc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C#N)ccc3-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)n2)c1
InChIInChI=1S/C71H43N7/c72-44-46-26-36-63(77-65-40-53(48-16-6-1-7-17-48)28-32-57(65)58-33-29-54(41-66(58)77)49-18-8-2-9-19-49)61(38-46)70-74-69(52-24-14-5-15-25-52)75-71(76-70)62-39-47(45-73)27-37-64(62)78-67-42-55(50-20-10-3-11-21-50)30-34-59(67)60-35-31-56(43-68(60)78)51-22-12-4-13-23-51/h1-43H
InChIKeyZEBZWKSTFKYCKM-UHFFFAOYSA-N
XLogP17.48
TPSA96.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500994.17
LogP ≤ 517.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-[9-[2-[4-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-cyanophenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 138713577
5-[9-[4-cyano-2-[4-[5-cyano-2-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 138712671
5-[9-[4-(4-cyanophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142577631
5-[9-[4-(4-cyanophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142577639
4-[9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137421368
3-[7-(3-cyanophenyl)-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137421391
3-[7-(3-cyanophenyl)-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137421475
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile
CID 134508080
3-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137421286
3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476168
5-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 137414622
4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-cyanophenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 138712675

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-cyano-2-(2,7-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(2,7-diphenylcarbazol-9-yl)benzonitrile?
The IUPAC name of 3-[4-[5-cyano-2-(2,7-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(2,7-diphenylcarbazol-9-yl)benzonitrile (CID 138713564) is 3-[4-[5-cyano-2-(2,7-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(2,7-diphenylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 3-[4-[5-cyano-2-(2,7-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(2,7-diphenylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 3-[4-[5-cyano-2-(2,7-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(2,7-diphenylcarbazol-9-yl)benzonitrile is N#Cc1ccc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C#N)ccc3-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)n2)c1.
What is the InChIKey of 3-[4-[5-cyano-2-(2,7-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(2,7-diphenylcarbazol-9-yl)benzonitrile?
The InChIKey is ZEBZWKSTFKYCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H43N7/c72-44-46-26-36-63(77-65-40-53(48-16-6-1-7-17-48)28-32-57(65)58-33-29-54(41-66(58)77)49-18-8-2-9-19-49)61(38-46)70-74-69(52-24-14-5-15-25-52)75-71(76-70)62-39-47(45-73)27-37-64(62)78-67-42-55(50-20-10-3-11-21-50)30-34-59(67)60-35-31-56(43-68(60)78)51-22-12-4-13-23-51/h1-43H.
What are the key properties of 3-[4-[5-cyano-2-(2,7-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(2,7-diphenylcarbazol-9-yl)benzonitrile?
3-[4-[5-cyano-2-(2,7-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(2,7-diphenylcarbazol-9-yl)benzonitrile has a molecular weight of 994.17 g/mol, XLogP of 17.48, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-cyano-2-(2,7-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(2,7-diphenylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 138713564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).