5-[9-[2-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile

C68H30N12 — CID 146409316

IUPAC5-[9-[2-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2ccc(C#N)cc2-c2ccncc2-n2c3ccc(-c4cc(C#N)cc(C#N)c4)cc3c3cc(-c4cc(C#N)cc(C#N)c4)ccc32)c1
InChIInChI=1S/C68H30N12/c69-30-40-1-6-63(79-64-7-2-49(53-17-41(31-70)13-42(18-53)32-71)26-59(64)60-27-50(3-8-65(60)79)54-19-43(33-72)14-44(20-54)34-73)58(25-40)57-11-12-78-39-68(57)80-66-9-4-51(55-21-45(35-74)15-46(22-55)36-75)28-61(66)62-29-52(5-10-67(62)80)56-23-47(37-76)16-48(24-56)38-77/h1-29,39H
InChIKeyTUBOVHMBDWHRLE-UHFFFAOYSA-N
MW1015.07 g/mol
LogP14.46
Rot. Bonds7

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

5-[9-[2-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 146409316) has the molecular formula C68H30N12 and a molecular weight of 1015.07 g/mol. Its IUPAC name is 5-[9-[2-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[9-[2-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
PubChem CID146409316
Molecular FormulaC68H30N12
Molecular Weight1015.07 g/mol
Exact Mass1014.27
IUPAC Name5-[9-[2-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2ccc(C#N)cc2-c2ccncc2-n2c3ccc(-c4cc(C#N)cc(C#N)c4)cc3c3cc(-c4cc(C#N)cc(C#N)c4)ccc32)c1
InChIInChI=1S/C68H30N12/c69-30-40-1-6-63(79-64-7-2-49(53-17-41(31-70)13-42(18-53)32-71)26-59(64)60-27-50(3-8-65(60)79)54-19-43(33-72)14-44(20-54)34-73)58(25-40)57-11-12-78-39-68(57)80-66-9-4-51(55-21-45(35-74)15-46(22-55)36-75)28-61(66)62-29-52(5-10-67(62)80)56-23-47(37-76)16-48(24-56)38-77/h1-29,39H
InChIKeyTUBOVHMBDWHRLE-UHFFFAOYSA-N
XLogP14.46
TPSA236.86 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001015.07
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Related Compounds

5-[9-[2-[4-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146409662
2-[9-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 146409317
4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409327
4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409611
4-(3,6-dimethylcarbazol-9-yl)-3-[3-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146409744
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409764
2-[9-[2-[4-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 146409656
4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146409434
5-[9-[2-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyanophenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155003315
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
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile
CID 164744019
3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 159047347

Frequently Asked Questions

What is the IUPAC name of 5-[9-[2-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[9-[2-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 146409316) is 5-[9-[2-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[9-[2-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[9-[2-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2ccc(C#N)cc2-c2ccncc2-n2c3ccc(-c4cc(C#N)cc(C#N)c4)cc3c3cc(-c4cc(C#N)cc(C#N)c4)ccc32)c1.
What is the InChIKey of 5-[9-[2-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The InChIKey is TUBOVHMBDWHRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H30N12/c69-30-40-1-6-63(79-64-7-2-49(53-17-41(31-70)13-42(18-53)32-71)26-59(64)60-27-50(3-8-65(60)79)54-19-43(33-72)14-44(20-54)34-73)58(25-40)57-11-12-78-39-68(57)80-66-9-4-51(55-21-45(35-74)15-46(22-55)36-75)28-61(66)62-29-52(5-10-67(62)80)56-23-47(37-76)16-48(24-56)38-77/h1-29,39H.
What are the key properties of 5-[9-[2-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
5-[9-[2-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 1015.07 g/mol, XLogP of 14.46, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[2-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 146409316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).