5-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-(3,5-dicyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile

C65H42N8 — CID 155447563

IUPAC5-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-(3,5-dicyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2c(-c3cc(C#N)cc(C#N)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(C#N)cc(C#N)c2)c(C)c1
InChIInChI=1S/C65H42N8/c1-39-15-19-54(41(3)23-39)49-17-21-60-58(31-49)59-32-50(55-20-16-40(2)24-42(55)4)18-22-61(59)73(60)62-56(51-27-43(35-66)25-44(28-51)36-67)33-53(34-57(62)52-29-45(37-68)26-46(30-52)38-69)65-71-63(47-11-7-5-8-12-47)70-64(72-65)48-13-9-6-10-14-48/h5-34H,1-4H3
InChIKeyJPWSLMRAWLVGSX-UHFFFAOYSA-N
MW935.11 g/mol
LogP15.36
Rot. Bonds8

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

5-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-(3,5-dicyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile (PubChem CID 155447563) has the molecular formula C65H42N8 and a molecular weight of 935.11 g/mol. Its IUPAC name is 5-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-(3,5-dicyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-(3,5-dicyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile
PubChem CID155447563
Molecular FormulaC65H42N8
Molecular Weight935.11 g/mol
Exact Mass934.35
IUPAC Name5-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-(3,5-dicyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2c(-c3cc(C#N)cc(C#N)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(C#N)cc(C#N)c2)c(C)c1
InChIInChI=1S/C65H42N8/c1-39-15-19-54(41(3)23-39)49-17-21-60-58(31-49)59-32-50(55-20-16-40(2)24-42(55)4)18-22-61(59)73(60)62-56(51-27-43(35-66)25-44(28-51)36-67)33-53(34-57(62)52-29-45(37-68)26-46(30-52)38-69)65-71-63(47-11-7-5-8-12-47)70-64(72-65)48-13-9-6-10-14-48/h5-34H,1-4H3
InChIKeyJPWSLMRAWLVGSX-UHFFFAOYSA-N
XLogP15.36
TPSA138.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.11
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-(3,5-dicyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile with MolForge

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Related Compounds

4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 156511324
3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-3-(3-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155446414
2-[3-(2-cyanophenyl)-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155447179
3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(3-isocyanophenyl)phenyl]benzonitrile
CID 155656715
4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-3-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 138555820
3-[3-(3-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155446404
4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-cyanophenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 138713572
3,6-bis(2,4-dimethylphenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 160520902
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole
CID 167168633
9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole
CID 158364667
2,5-bis[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 138729257
5-[3-(3,5-diisocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 160887482

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-(3,5-dicyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-(3,5-dicyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile (CID 155447563) is 5-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-(3,5-dicyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-(3,5-dicyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-(3,5-dicyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile is Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2c(-c3cc(C#N)cc(C#N)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(C#N)cc(C#N)c2)c(C)c1.
What is the InChIKey of 5-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-(3,5-dicyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is JPWSLMRAWLVGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N8/c1-39-15-19-54(41(3)23-39)49-17-21-60-58(31-49)59-32-50(55-20-16-40(2)24-42(55)4)18-22-61(59)73(60)62-56(51-27-43(35-66)25-44(28-51)36-67)33-53(34-57(62)52-29-45(37-68)26-46(30-52)38-69)65-71-63(47-11-7-5-8-12-47)70-64(72-65)48-13-9-6-10-14-48/h5-34H,1-4H3.
What are the key properties of 5-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-(3,5-dicyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile?
5-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-(3,5-dicyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 935.11 g/mol, XLogP of 15.36, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-(3,5-dicyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155447563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).