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

C71H29F6N11 — CID 137393080

IUPAC4-[9-[3-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2cc(-c3c(C(F)(F)F)cccc3C(F)(F)F)cc(-n3c4ccc(-c5ccc(C#N)cc5C#N)cc4c4cc(-c5ccc(C#N)cc5C#N)ccc43)c2C#N)c(C#N)c1
InChIInChI=1S/C71H29F6N11/c72-70(73,74)61-2-1-3-62(71(75,76)77)69(61)47-28-67(87-63-16-8-43(52-12-4-39(30-78)20-48(52)34-82)24-56(63)57-25-44(9-17-64(57)87)53-13-5-40(31-79)21-49(53)35-83)60(38-86)68(29-47)88-65-18-10-45(54-14-6-41(32-80)22-50(54)36-84)26-58(65)59-27-46(11-19-66(59)88)55-15-7-42(33-81)23-51(55)37-85/h1-29H
InChIKeyXKOGCVDLMUJDIW-UHFFFAOYSA-N
MW1150.08 g/mol
LogP17.10
Rot. Bonds7

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

4-[9-[3-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 137393080) has the molecular formula C71H29F6N11 and a molecular weight of 1150.08 g/mol. Its IUPAC name is 4-[9-[3-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-[9-[3-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
PubChem CID137393080
Molecular FormulaC71H29F6N11
Molecular Weight1150.08 g/mol
Exact Mass1149.25
IUPAC Name4-[9-[3-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2cc(-c3c(C(F)(F)F)cccc3C(F)(F)F)cc(-n3c4ccc(-c5ccc(C#N)cc5C#N)cc4c4cc(-c5ccc(C#N)cc5C#N)ccc43)c2C#N)c(C#N)c1
InChIInChI=1S/C71H29F6N11/c72-70(73,74)61-2-1-3-62(71(75,76)77)69(61)47-28-67(87-63-16-8-43(52-12-4-39(30-78)20-48(52)34-82)24-56(63)57-25-44(9-17-64(57)87)53-13-5-40(31-79)21-49(53)35-83)60(38-86)68(29-47)88-65-18-10-45(54-14-6-41(32-80)22-50(54)36-84)26-58(65)59-27-46(11-19-66(59)88)55-15-7-42(33-81)23-51(55)37-85/h1-29H
InChIKeyXKOGCVDLMUJDIW-UHFFFAOYSA-N
XLogP17.10
TPSA223.97 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001150.08
LogP ≤ 517.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

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Related Compounds

4-[9-[2-cyano-5-[2-cyano-6-(trifluoromethyl)phenyl]-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 137381753
4-[9-[3-[2-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-cyanophenyl]-4-[2,6-bis(trifluoromethyl)phenyl]phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138499639
4-[9-[4-cyano-2-[2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 139526285
2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile
CID 157257853
5-[9-[2-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]phenyl]-5-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138499811
2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 146519971
3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499504
4-[9-[3-[5-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138749621
3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 138499752
4-[9-[2-[2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138554504
4-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-3-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138499564
4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499417

Frequently Asked Questions

What is the IUPAC name of 4-[9-[3-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 4-[9-[3-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 137393080) is 4-[9-[3-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-[9-[3-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-[9-[3-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile is N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2cc(-c3c(C(F)(F)F)cccc3C(F)(F)F)cc(-n3c4ccc(-c5ccc(C#N)cc5C#N)cc4c4cc(-c5ccc(C#N)cc5C#N)ccc43)c2C#N)c(C#N)c1.
What is the InChIKey of 4-[9-[3-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The InChIKey is XKOGCVDLMUJDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H29F6N11/c72-70(73,74)61-2-1-3-62(71(75,76)77)69(61)47-28-67(87-63-16-8-43(52-12-4-39(30-78)20-48(52)34-82)24-56(63)57-25-44(9-17-64(57)87)53-13-5-40(31-79)21-49(53)35-83)60(38-86)68(29-47)88-65-18-10-45(54-14-6-41(32-80)22-50(54)36-84)26-58(65)59-27-46(11-19-66(59)88)55-15-7-42(33-81)23-51(55)37-85/h1-29H.
What are the key properties of 4-[9-[3-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
4-[9-[3-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 1150.08 g/mol, XLogP of 17.10, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[3-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 137393080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).