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

C71H31F3N12 — CID 162609106

IUPAC5-[9-[2-[2,7-bis(3,5-dicyanocyclohexa-2,4-dien-1-ylidene)carbazol-9-yl]-4-cyano-5-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
SMILESN#CC1=CC(=c2ccc3c4ccc(=C5C=C(C#N)C=C(C#N)C5)cc4n(-c4cc(C#N)c(-c5ccc(C#N)cc5C(F)(F)F)cc4-n4c5cc(-c6cc(C#N)cc(C#N)c6)ccc5c5ccc(-c6cc(C#N)cc(C#N)c6)cc54)c3c2)CC(C#N)=C1
InChIInChI=1S/C71H31F3N12/c72-71(73,74)64-23-40(30-75)1-6-58(64)63-29-70(86-67-26-51(55-19-45(35-80)13-46(20-55)36-81)4-9-61(67)62-10-5-52(27-68(62)86)56-21-47(37-82)14-48(22-56)38-83)69(28-57(63)39-84)85-65-24-49(53-15-41(31-76)11-42(16-53)32-77)2-7-59(65)60-8-3-50(25-66(60)85)54-17-43(33-78)12-44(18-54)34-79/h1-15,17,19-29H,16,18H2
InChIKeyCACHEXQUMWVKGY-UHFFFAOYSA-N
MW1109.11 g/mol
LogP14.04
Rot. Bonds5

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

5-[9-[2-[2,7-bis(3,5-dicyanocyclohexa-2,4-dien-1-ylidene)carbazol-9-yl]-4-cyano-5-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile (PubChem CID 162609106) has the molecular formula C71H31F3N12 and a molecular weight of 1109.11 g/mol. Its IUPAC name is 5-[9-[2-[2,7-bis(3,5-dicyanocyclohexa-2,4-dien-1-ylidene)carbazol-9-yl]-4-cyano-5-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[9-[2-[2,7-bis(3,5-dicyanocyclohexa-2,4-dien-1-ylidene)carbazol-9-yl]-4-cyano-5-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
PubChem CID162609106
Molecular FormulaC71H31F3N12
Molecular Weight1109.11 g/mol
Exact Mass1108.27
IUPAC Name5-[9-[2-[2,7-bis(3,5-dicyanocyclohexa-2,4-dien-1-ylidene)carbazol-9-yl]-4-cyano-5-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
SMILESN#CC1=CC(=c2ccc3c4ccc(=C5C=C(C#N)C=C(C#N)C5)cc4n(-c4cc(C#N)c(-c5ccc(C#N)cc5C(F)(F)F)cc4-n4c5cc(-c6cc(C#N)cc(C#N)c6)ccc5c5ccc(-c6cc(C#N)cc(C#N)c6)cc54)c3c2)CC(C#N)=C1
InChIInChI=1S/C71H31F3N12/c72-71(73,74)64-23-40(30-75)1-6-58(64)63-29-70(86-67-26-51(55-19-45(35-80)13-46(20-55)36-81)4-9-61(67)62-10-5-52(27-68(62)86)56-21-47(37-82)14-48(22-56)38-83)69(28-57(63)39-84)85-65-24-49(53-15-41(31-76)11-42(16-53)32-77)2-7-59(65)60-8-3-50(25-66(60)85)54-17-43(33-78)12-44(18-54)34-79/h1-15,17,19-29H,16,18H2
InChIKeyCACHEXQUMWVKGY-UHFFFAOYSA-N
XLogP14.04
TPSA247.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001109.11
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Related Compounds

5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134473751
4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
CID 142414204
4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
CID 147981502
2,5-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
CID 153302971
3,5-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
CID 142414331
5-[9-[5-(3-cyanophenyl)-2-[2-(3,5-dicyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 146238206
2,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
CID 153302809
4-[4-cyano-2-(trifluoromethyl)phenyl]-2,5-bis(2,7-dimethylcarbazol-9-yl)benzonitrile
CID 153303102
3-[4,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 155377888
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-[4,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-3-(trifluoromethyl)benzonitrile
CID 153302782
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

Frequently Asked Questions

What is the IUPAC name of 5-[9-[2-[2,7-bis(3,5-dicyanocyclohexa-2,4-dien-1-ylidene)carbazol-9-yl]-4-cyano-5-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[9-[2-[2,7-bis(3,5-dicyanocyclohexa-2,4-dien-1-ylidene)carbazol-9-yl]-4-cyano-5-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile (CID 162609106) is 5-[9-[2-[2,7-bis(3,5-dicyanocyclohexa-2,4-dien-1-ylidene)carbazol-9-yl]-4-cyano-5-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[9-[2-[2,7-bis(3,5-dicyanocyclohexa-2,4-dien-1-ylidene)carbazol-9-yl]-4-cyano-5-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[9-[2-[2,7-bis(3,5-dicyanocyclohexa-2,4-dien-1-ylidene)carbazol-9-yl]-4-cyano-5-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile is N#CC1=CC(=c2ccc3c4ccc(=C5C=C(C#N)C=C(C#N)C5)cc4n(-c4cc(C#N)c(-c5ccc(C#N)cc5C(F)(F)F)cc4-n4c5cc(-c6cc(C#N)cc(C#N)c6)ccc5c5ccc(-c6cc(C#N)cc(C#N)c6)cc54)c3c2)CC(C#N)=C1.
What is the InChIKey of 5-[9-[2-[2,7-bis(3,5-dicyanocyclohexa-2,4-dien-1-ylidene)carbazol-9-yl]-4-cyano-5-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The InChIKey is CACHEXQUMWVKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H31F3N12/c72-71(73,74)64-23-40(30-75)1-6-58(64)63-29-70(86-67-26-51(55-19-45(35-80)13-46(20-55)36-81)4-9-61(67)62-10-5-52(27-68(62)86)56-21-47(37-82)14-48(22-56)38-83)69(28-57(63)39-84)85-65-24-49(53-15-41(31-76)11-42(16-53)32-77)2-7-59(65)60-8-3-50(25-66(60)85)54-17-43(33-78)12-44(18-54)34-79/h1-15,17,19-29H,16,18H2.
What are the key properties of 5-[9-[2-[2,7-bis(3,5-dicyanocyclohexa-2,4-dien-1-ylidene)carbazol-9-yl]-4-cyano-5-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
5-[9-[2-[2,7-bis(3,5-dicyanocyclohexa-2,4-dien-1-ylidene)carbazol-9-yl]-4-cyano-5-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile has a molecular weight of 1109.11 g/mol, XLogP of 14.04, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[2-[2,7-bis(3,5-dicyanocyclohexa-2,4-dien-1-ylidene)carbazol-9-yl]-4-cyano-5-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 162609106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).