4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile

C46H27N7 — CID 163238679

IUPAC4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)c1
InChIInChI=1S/C46H27N7/c47-28-29-25-26-43(51-37-19-7-1-13-30(37)31-14-2-8-20-38(31)51)36(27-29)44-48-45(52-39-21-9-3-15-32(39)33-16-4-10-22-40(33)52)50-46(49-44)53-41-23-11-5-17-34(41)35-18-6-12-24-42(35)53/h1-27H
InChIKeyWWGXLRKVMIDNON-UHFFFAOYSA-N
MW677.77 g/mol
LogP10.70
Rot. Bonds4

About 4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile

4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile (PubChem CID 163238679) has the molecular formula C46H27N7 and a molecular weight of 677.77 g/mol. Its IUPAC name is 4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile
PubChem CID163238679
Molecular FormulaC46H27N7
Molecular Weight677.77 g/mol
Exact Mass677.23
IUPAC Name4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)c1
InChIInChI=1S/C46H27N7/c47-28-29-25-26-43(51-37-19-7-1-13-30(37)31-14-2-8-20-38(31)51)36(27-29)44-48-45(52-39-21-9-3-15-32(39)33-16-4-10-22-40(33)52)50-46(49-44)53-41-23-11-5-17-34(41)35-18-6-12-24-42(35)53/h1-27H
InChIKeyWWGXLRKVMIDNON-UHFFFAOYSA-N
XLogP10.70
TPSA77.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.77
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)benzonitrile
CID 170445850
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 137414465
4-[3-[4-carbazol-9-yl-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-3-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 164743992
3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 166983956
3-[4,6-bis(1-adamantyl)-1,3,5-triazin-2-yl]-4-carbazol-9-ylbenzonitrile
CID 177108866
3-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 170444671
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 164744087
5-[9-[4-cyano-2-[4-[5-cyano-2-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138712673
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
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile
CID 134508080
4-carbazol-9-yl-3-[4-[2-carbazol-9-yl-4-(3-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 170664743
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(5-phenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 164744322

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile?
The IUPAC name of 4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile (CID 163238679) is 4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile.
What is the SMILES notation for 4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile?
The canonical SMILES for 4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile is N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)c1.
What is the InChIKey of 4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile?
The InChIKey is WWGXLRKVMIDNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N7/c47-28-29-25-26-43(51-37-19-7-1-13-30(37)31-14-2-8-20-38(31)51)36(27-29)44-48-45(52-39-21-9-3-15-32(39)33-16-4-10-22-40(33)52)50-46(49-44)53-41-23-11-5-17-34(41)35-18-6-12-24-42(35)53/h1-27H.
What are the key properties of 4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile?
4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile has a molecular weight of 677.77 g/mol, XLogP of 10.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile is sourced from PubChem (CID 163238679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).