4-[9-[2-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-7-(4,6-dicyanocyclohexa-2,4-dien-1-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile

C71H31F6N11 — CID 146519877

IUPAC4-[9-[2-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-7-(4,6-dicyanocyclohexa-2,4-dien-1-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile
SMILESN#CC1=CC(C#N)C(c2ccc3c4ccc(-c5ccc(C#N)cc5C#N)cc4n(-c4cc(-c5c(C(F)(F)F)cccc5C(F)(F)F)c(C#N)cc4-n4c5cc(-c6ccc(C#N)cc6C#N)ccc5c5ccc(-c6ccc(C#N)cc6C#N)cc54)c3c2)C=C1
InChIInChI=1S/C71H31F6N11/c72-70(73,74)61-2-1-3-62(71(75,76)77)69(61)60-29-68(88-65-26-45(54-14-6-41(32-80)22-49(54)36-84)10-18-58(65)59-19-11-46(27-66(59)88)55-15-7-42(33-81)23-50(55)37-85)67(28-51(60)38-86)87-63-24-43(52-12-4-39(30-78)20-47(52)34-82)8-16-56(63)57-17-9-44(25-64(57)87)53-13-5-40(31-79)21-48(53)35-83/h1-29,49,54H
InChIKeySMQHJSFZCSKGMP-UHFFFAOYSA-N
MW1152.09 g/mol
LogP16.93
Rot. Bonds7

About 4-[9-[2-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-7-(4,6-dicyanocyclohexa-2,4-dien-1-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile

4-[9-[2-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-7-(4,6-dicyanocyclohexa-2,4-dien-1-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile (PubChem CID 146519877) has the molecular formula C71H31F6N11 and a molecular weight of 1152.09 g/mol. Its IUPAC name is 4-[9-[2-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-7-(4,6-dicyanocyclohexa-2,4-dien-1-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-[9-[2-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-7-(4,6-dicyanocyclohexa-2,4-dien-1-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile
PubChem CID146519877
Molecular FormulaC71H31F6N11
Molecular Weight1152.09 g/mol
Exact Mass1151.27
IUPAC Name4-[9-[2-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-7-(4,6-dicyanocyclohexa-2,4-dien-1-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile
SMILESN#CC1=CC(C#N)C(c2ccc3c4ccc(-c5ccc(C#N)cc5C#N)cc4n(-c4cc(-c5c(C(F)(F)F)cccc5C(F)(F)F)c(C#N)cc4-n4c5cc(-c6ccc(C#N)cc6C#N)ccc5c5ccc(-c6ccc(C#N)cc6C#N)cc54)c3c2)C=C1
InChIInChI=1S/C71H31F6N11/c72-70(73,74)61-2-1-3-62(71(75,76)77)69(61)60-29-68(88-65-26-45(54-14-6-41(32-80)22-49(54)36-84)10-18-58(65)59-19-11-46(27-66(59)88)55-15-7-42(33-81)23-50(55)37-85)67(28-51(60)38-86)87-63-24-43(52-12-4-39(30-78)20-47(52)34-82)8-16-56(63)57-17-9-44(25-64(57)87)53-13-5-40(31-79)21-48(53)35-83/h1-29,49,54H
InChIKeySMQHJSFZCSKGMP-UHFFFAOYSA-N
XLogP16.93
TPSA223.97 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001152.09
LogP ≤ 516.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-[9-[2-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-7-(4,6-dicyanocyclohexa-2,4-dien-1-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile with MolForge

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Related Compounds

2-[2,6-bis(trifluoromethyl)phenyl]-4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 137393375
4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
CID 142414204
4-[9-[4-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)-5-(trifluoromethyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142465942
4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 162571618
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
4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
CID 147981502
4-[9-[2-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-cyano-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134473750
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
6-[2,6-bis[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-4-cyanophenyl]cyclohepta-2,4,6-triene-1,4-dicarbonitrile
CID 139538765
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
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-[5-[2,4-bis(trifluoromethyl)phenyl]-2-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134473325

Frequently Asked Questions

What is the IUPAC name of 4-[9-[2-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-7-(4,6-dicyanocyclohexa-2,4-dien-1-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 4-[9-[2-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-7-(4,6-dicyanocyclohexa-2,4-dien-1-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile (CID 146519877) is 4-[9-[2-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-7-(4,6-dicyanocyclohexa-2,4-dien-1-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-[9-[2-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-7-(4,6-dicyanocyclohexa-2,4-dien-1-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-[9-[2-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-7-(4,6-dicyanocyclohexa-2,4-dien-1-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile is N#CC1=CC(C#N)C(c2ccc3c4ccc(-c5ccc(C#N)cc5C#N)cc4n(-c4cc(-c5c(C(F)(F)F)cccc5C(F)(F)F)c(C#N)cc4-n4c5cc(-c6ccc(C#N)cc6C#N)ccc5c5ccc(-c6ccc(C#N)cc6C#N)cc54)c3c2)C=C1.
What is the InChIKey of 4-[9-[2-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-7-(4,6-dicyanocyclohexa-2,4-dien-1-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The InChIKey is SMQHJSFZCSKGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H31F6N11/c72-70(73,74)61-2-1-3-62(71(75,76)77)69(61)60-29-68(88-65-26-45(54-14-6-41(32-80)22-49(54)36-84)10-18-58(65)59-19-11-46(27-66(59)88)55-15-7-42(33-81)23-50(55)37-85)67(28-51(60)38-86)87-63-24-43(52-12-4-39(30-78)20-47(52)34-82)8-16-56(63)57-17-9-44(25-64(57)87)53-13-5-40(31-79)21-48(53)35-83/h1-29,49,54H.
What are the key properties of 4-[9-[2-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-7-(4,6-dicyanocyclohexa-2,4-dien-1-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
4-[9-[2-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-7-(4,6-dicyanocyclohexa-2,4-dien-1-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile has a molecular weight of 1152.09 g/mol, XLogP of 16.93, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[2-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-7-(4,6-dicyanocyclohexa-2,4-dien-1-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 146519877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).