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

C69H29F3N12 — CID 162572240

IUPAC5-[9-[5-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]-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-c2cc(-c3cc(C#N)cc(C(F)(F)F)c3)c(-n3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)cn2)c1
InChIInChI=1S/C69H29F3N12/c70-69(71,72)57-22-47(37-81)21-56(23-57)58-28-68(84-65-7-3-50(54-17-43(33-77)11-44(18-54)34-78)26-61(65)62-27-51(4-8-66(62)84)55-19-45(35-79)12-46(20-55)36-80)82-38-67(58)83-63-5-1-48(52-13-39(29-73)9-40(14-52)30-74)24-59(63)60-25-49(2-6-64(60)83)53-15-41(31-75)10-42(16-53)32-76/h1-28,38H
InChIKeyUIGIPJGVHRFHOL-UHFFFAOYSA-N
MW1083.07 g/mol
LogP15.47
Rot. Bonds7

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

5-[9-[5-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 162572240) has the molecular formula C69H29F3N12 and a molecular weight of 1083.07 g/mol. Its IUPAC name is 5-[9-[5-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[9-[5-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
PubChem CID162572240
Molecular FormulaC69H29F3N12
Molecular Weight1083.07 g/mol
Exact Mass1082.26
IUPAC Name5-[9-[5-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]-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-c2cc(-c3cc(C#N)cc(C(F)(F)F)c3)c(-n3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)cn2)c1
InChIInChI=1S/C69H29F3N12/c70-69(71,72)57-22-47(37-81)21-56(23-57)58-28-68(84-65-7-3-50(54-17-43(33-77)11-44(18-54)34-78)26-61(65)62-27-51(4-8-66(62)84)55-19-45(35-79)12-46(20-55)36-80)82-38-67(58)83-63-5-1-48(52-13-39(29-73)9-40(14-52)30-74)24-59(63)60-25-49(2-6-64(60)83)53-15-41(31-75)10-42(16-53)32-76/h1-28,38H
InChIKeyUIGIPJGVHRFHOL-UHFFFAOYSA-N
XLogP15.47
TPSA236.86 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001083.07
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Related Compounds

3-[2,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile
CID 146394115
5-[9-[4-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[3,5-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 134300579
4-[9-[5-[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-7-(4-cyanophenyl)carbazol-2-yl]benzonitrile
CID 146393827
2-[2,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 142452400
5-[9-[2-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 137386723
3-[9-[5-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile
CID 142452279
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 137386760
5-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
CID 164744006
4,5-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 134300498
5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[4-cyano-2-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138499701
5-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 162611751
5-[2,5-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile
CID 149305061

Frequently Asked Questions

What is the IUPAC name of 5-[9-[5-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[9-[5-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 162572240) is 5-[9-[5-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[9-[5-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[9-[5-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]-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-c2cc(-c3cc(C#N)cc(C(F)(F)F)c3)c(-n3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)cn2)c1.
What is the InChIKey of 5-[9-[5-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The InChIKey is UIGIPJGVHRFHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H29F3N12/c70-69(71,72)57-22-47(37-81)21-56(23-57)58-28-68(84-65-7-3-50(54-17-43(33-77)11-44(18-54)34-78)26-61(65)62-27-51(4-8-66(62)84)55-19-45(35-79)12-46(20-55)36-80)82-38-67(58)83-63-5-1-48(52-13-39(29-73)9-40(14-52)30-74)24-59(63)60-25-49(2-6-64(60)83)53-15-41(31-75)10-42(16-53)32-76/h1-28,38H.
What are the key properties of 5-[9-[5-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
5-[9-[5-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 1083.07 g/mol, XLogP of 15.47, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[5-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 162572240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).