2-[6-(2-cyanophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzene-1,3-dicarbonitrile

C42H23N7 — CID 155357625

IUPAC2-[6-(2-cyanophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3c(C#N)cccc3C#N)ccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C42H23N7/c43-24-31-14-7-8-17-34(31)29-18-20-37-35(22-29)36-23-30(39-32(25-44)15-9-16-33(39)26-45)19-21-38(36)49(37)42-47-40(27-10-3-1-4-11-27)46-41(48-42)28-12-5-2-6-13-28/h1-23H
InChIKeyYDJOSMCLGWHRJL-UHFFFAOYSA-N
MW625.70 g/mol
LogP9.25
Rot. Bonds5

About 2-[6-(2-cyanophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzene-1,3-dicarbonitrile

2-[6-(2-cyanophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 155357625) has the molecular formula C42H23N7 and a molecular weight of 625.70 g/mol. Its IUPAC name is 2-[6-(2-cyanophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[6-(2-cyanophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzene-1,3-dicarbonitrile
PubChem CID155357625
Molecular FormulaC42H23N7
Molecular Weight625.70 g/mol
Exact Mass625.20
IUPAC Name2-[6-(2-cyanophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3c(C#N)cccc3C#N)ccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C42H23N7/c43-24-31-14-7-8-17-34(31)29-18-20-37-35(22-29)36-23-30(39-32(25-44)15-9-16-33(39)26-45)19-21-38(36)49(37)42-47-40(27-10-3-1-4-11-27)46-41(48-42)28-12-5-2-6-13-28/h1-23H
InChIKeyYDJOSMCLGWHRJL-UHFFFAOYSA-N
XLogP9.25
TPSA114.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.70
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(2-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 174170172
2-[9-[4-(2-cyanophenyl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 139496015
2-[3,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544225
2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-(2-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]benzonitrile
CID 155447170
2-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]-3-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139495747
2-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139496162
2-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139495738
2-[4-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035747
2-[9-[2,6-bis(3-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155447205
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
4-[4-[4-(2-cyanophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 170664720
2-[6-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazol-3-yl]benzonitrile
CID 138549616

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-cyanophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[6-(2-cyanophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 155357625) is 2-[6-(2-cyanophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[6-(2-cyanophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[6-(2-cyanophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzene-1,3-dicarbonitrile is N#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3c(C#N)cccc3C#N)ccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[6-(2-cyanophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The InChIKey is YDJOSMCLGWHRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H23N7/c43-24-31-14-7-8-17-34(31)29-18-20-37-35(22-29)36-23-30(39-32(25-44)15-9-16-33(39)26-45)19-21-38(36)49(37)42-47-40(27-10-3-1-4-11-27)46-41(48-42)28-12-5-2-6-13-28/h1-23H.
What are the key properties of 2-[6-(2-cyanophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
2-[6-(2-cyanophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 625.70 g/mol, XLogP of 9.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-cyanophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155357625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).