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

C65H30N12 — CID 155447505

IUPAC4-[9-[2,6-bis(2,4-dicyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2c(-c3ccc(C#N)cc3C#N)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(C#N)cc2C#N)c(C#N)c1
InChIInChI=1S/C65H30N12/c66-31-39-11-17-52(48(23-39)35-70)45-15-21-60-56(27-45)57-28-46(53-18-12-40(32-67)24-49(53)36-71)16-22-61(57)77(60)62-58(54-19-13-41(33-68)25-50(54)37-72)29-47(30-59(62)55-20-14-42(34-69)26-51(55)38-73)65-75-63(43-7-3-1-4-8-43)74-64(76-65)44-9-5-2-6-10-44/h1-30H
InChIKeyPAKSKSQSMWEJDT-UHFFFAOYSA-N
MW979.04 g/mol
LogP13.61
Rot. Bonds8

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

4-[9-[2,6-bis(2,4-dicyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 155447505) has the molecular formula C65H30N12 and a molecular weight of 979.04 g/mol. Its IUPAC name is 4-[9-[2,6-bis(2,4-dicyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-[9-[2,6-bis(2,4-dicyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
PubChem CID155447505
Molecular FormulaC65H30N12
Molecular Weight979.04 g/mol
Exact Mass978.27
IUPAC Name4-[9-[2,6-bis(2,4-dicyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2c(-c3ccc(C#N)cc3C#N)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(C#N)cc2C#N)c(C#N)c1
InChIInChI=1S/C65H30N12/c66-31-39-11-17-52(48(23-39)35-70)45-15-21-60-56(27-45)57-28-46(53-18-12-40(32-67)24-49(53)36-71)16-22-61(57)77(60)62-58(54-19-13-41(33-68)25-50(54)37-72)29-47(30-59(62)55-20-14-42(34-69)26-51(55)38-73)65-75-63(43-7-3-1-4-8-43)74-64(76-65)44-9-5-2-6-10-44/h1-30H
InChIKeyPAKSKSQSMWEJDT-UHFFFAOYSA-N
XLogP13.61
TPSA233.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500979.04
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Related Compounds

2-[9-[2,6-bis(2,4-dicyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 155447395
4-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 137420750
4-[9-[2-[3-[2-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 166899923
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-[9-[4-[3-[4-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 166900078
2-[9-[2,6-bis(3-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155447205
4-[9-[5-cyano-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 134321459
4-[9-[3-[3-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 166900277
4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 155656846
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
3-[3-(3-cyanophenyl)-2-[3-(4-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155446457
4-[9-[2,6-bis(4-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155446819

Frequently Asked Questions

What is the IUPAC name of 4-[9-[2,6-bis(2,4-dicyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 4-[9-[2,6-bis(2,4-dicyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 155447505) is 4-[9-[2,6-bis(2,4-dicyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-[9-[2,6-bis(2,4-dicyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-[9-[2,6-bis(2,4-dicyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile is N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2c(-c3ccc(C#N)cc3C#N)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(C#N)cc2C#N)c(C#N)c1.
What is the InChIKey of 4-[9-[2,6-bis(2,4-dicyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The InChIKey is PAKSKSQSMWEJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H30N12/c66-31-39-11-17-52(48(23-39)35-70)45-15-21-60-56(27-45)57-28-46(53-18-12-40(32-67)24-49(53)36-71)16-22-61(57)77(60)62-58(54-19-13-41(33-68)25-50(54)37-72)29-47(30-59(62)55-20-14-42(34-69)26-51(55)38-73)65-75-63(43-7-3-1-4-8-43)74-64(76-65)44-9-5-2-6-10-44/h1-30H.
What are the key properties of 4-[9-[2,6-bis(2,4-dicyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
4-[9-[2,6-bis(2,4-dicyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 979.04 g/mol, XLogP of 13.61, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[2,6-bis(2,4-dicyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155447505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).