4-[2-[3-(4-carbazol-9-yl-3-isocyanophenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile

C137H73F3N16 — CID 165075809

IUPAC4-[2-[3-(4-carbazol-9-yl-3-isocyanophenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)c(C(F)(F)F)c4)ccc32)c(C#N)c1.N#Cc1ccc(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc32)c(C#N)c1.[C-]#[N+]c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ccc(C#N)cc2C#N)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C46H24F3N5.C46H24N6.C45H25N5/c47-46(48,49)39-24-31(16-20-45(39)54-40-10-4-1-7-34(40)35-8-2-5-11-41(35)54)30-15-19-44-38(23-30)36-9-3-6-12-42(36)53(44)43-18-14-29(26-51)22-37(43)33-17-13-28(25-50)21-32(33)27-52;1-50-40-25-32(17-21-46(40)52-41-11-5-2-8-35(41)36-9-3-6-12-42(36)52)31-16-20-45-39(24-31)37-10-4-7-13-43(37)51(45)44-19-15-30(27-48)23-38(44)34-18-14-29(26-47)22-33(34)28-49;46-26-29-13-20-35(33(23-29)28-48)39-24-30(27-47)14-21-44(39)50-43-12-6-3-9-38(43)40-25-32(17-22-45(40)50)31-15-18-34(19-16-31)49-41-10-4-1-7-36(41)37-8-2-5-11-42(37)49/h1-24H;2-25H;1-25H
InChIKeyUHADNAOSOVCGMS-UHFFFAOYSA-N
MW2000.20 g/mol
LogP34.06
Rot. Bonds12

About 4-[2-[3-(4-carbazol-9-yl-3-isocyanophenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile

4-[2-[3-(4-carbazol-9-yl-3-isocyanophenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile (PubChem CID 165075809) has the molecular formula C137H73F3N16 and a molecular weight of 2000.20 g/mol. Its IUPAC name is 4-[2-[3-(4-carbazol-9-yl-3-isocyanophenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-[2-[3-(4-carbazol-9-yl-3-isocyanophenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
PubChem CID165075809
Molecular FormulaC137H73F3N16
Molecular Weight2000.20 g/mol
Exact Mass1998.62
IUPAC Name4-[2-[3-(4-carbazol-9-yl-3-isocyanophenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)c(C(F)(F)F)c4)ccc32)c(C#N)c1.N#Cc1ccc(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc32)c(C#N)c1.[C-]#[N+]c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ccc(C#N)cc2C#N)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C46H24F3N5.C46H24N6.C45H25N5/c47-46(48,49)39-24-31(16-20-45(39)54-40-10-4-1-7-34(40)35-8-2-5-11-41(35)54)30-15-19-44-38(23-30)36-9-3-6-12-42(36)53(44)43-18-14-29(26-51)22-37(43)33-17-13-28(25-50)21-32(33)27-52;1-50-40-25-32(17-21-46(40)52-41-11-5-2-8-35(41)36-9-3-6-12-42(36)52)31-16-20-45-39(24-31)37-10-4-7-13-43(37)51(45)44-19-15-30(27-48)23-38(44)34-18-14-29(26-47)22-33(34)28-49;46-26-29-13-20-35(33(23-29)28-48)39-24-30(27-47)14-21-44(39)50-43-12-6-3-9-38(43)40-25-32(17-22-45(40)50)31-15-18-34(19-16-31)49-41-10-4-1-7-36(41)37-8-2-5-11-42(37)49/h1-24H;2-25H;1-25H
InChIKeyUHADNAOSOVCGMS-UHFFFAOYSA-N
XLogP34.06
TPSA248.05 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002000.20
LogP ≤ 534.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 4-[2-[3-(4-carbazol-9-yl-3-isocyanophenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile with MolForge

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Related Compounds

4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
CID 164744010
4-[2-[3-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]-3-(trifluoromethyl)benzonitrile
CID 164744024
2-[4,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile
CID 153302781
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081374
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155080883
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
3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(4-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138498857
4-[3-(2-carbazol-9-yl-5-cyanophenyl)carbazol-9-yl]-3-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile
CID 164743997
3-[2-[2,4-bis(trifluoromethyl)phenyl]-5-[3-(4-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138499290
4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[6-(4-cyano-2-isocyanophenyl)-9-[2-[2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-(2,6-dimethylphenyl)phenyl]-4-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 159985505
3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 138499755
3-[2-[2,6-bis(trifluoromethyl)phenyl]-5-[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138500039

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(4-carbazol-9-yl-3-isocyanophenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 4-[2-[3-(4-carbazol-9-yl-3-isocyanophenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile (CID 165075809) is 4-[2-[3-(4-carbazol-9-yl-3-isocyanophenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-[2-[3-(4-carbazol-9-yl-3-isocyanophenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-[2-[3-(4-carbazol-9-yl-3-isocyanophenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile is N#Cc1ccc(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)c(C(F)(F)F)c4)ccc32)c(C#N)c1.N#Cc1ccc(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc32)c(C#N)c1.[C-]#[N+]c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ccc(C#N)cc2C#N)ccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 4-[2-[3-(4-carbazol-9-yl-3-isocyanophenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile?
The InChIKey is UHADNAOSOVCGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H24F3N5.C46H24N6.C45H25N5/c47-46(48,49)39-24-31(16-20-45(39)54-40-10-4-1-7-34(40)35-8-2-5-11-41(35)54)30-15-19-44-38(23-30)36-9-3-6-12-42(36)53(44)43-18-14-29(26-51)22-37(43)33-17-13-28(25-50)21-32(33)27-52;1-50-40-25-32(17-21-46(40)52-41-11-5-2-8-35(41)36-9-3-6-12-42(36)52)31-16-20-45-39(24-31)37-10-4-7-13-43(37)51(45)44-19-15-30(27-48)23-38(44)34-18-14-29(26-47)22-33(34)28-49;46-26-29-13-20-35(33(23-29)28-48)39-24-30(27-47)14-21-44(39)50-43-12-6-3-9-38(43)40-25-32(17-22-45(40)50)31-15-18-34(19-16-31)49-41-10-4-1-7-36(41)37-8-2-5-11-42(37)49/h1-24H;2-25H;1-25H.
What are the key properties of 4-[2-[3-(4-carbazol-9-yl-3-isocyanophenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile?
4-[2-[3-(4-carbazol-9-yl-3-isocyanophenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile has a molecular weight of 2000.20 g/mol, XLogP of 34.06, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(4-carbazol-9-yl-3-isocyanophenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile;4-[2-[3-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 165075809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).