4-[4-cyano-3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-[4-cyano-3-[2-(4-isocyanophenyl)carbazol-9-yl]phenyl]-2-[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile;2-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-[3-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-isocyanophenyl]benzonitrile

C184H96N22 — CID 159711862

IUPAC4-[4-cyano-3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-[4-cyano-3-[2-(4-isocyanophenyl)carbazol-9-yl]phenyl]-2-[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile;2-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-[3-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-isocyanophenyl]benzonitrile
SMILES[C-]#[N+]c1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cc(-c5ccc([N+]#[C-])c(-n6c7cc(-c8ccc(C#N)cc8)ccc7c7ccc(-c8ccc([N+]#[C-])cc8)cc76)c5)ccc4C#N)c3c2)cc1.[C-]#[N+]c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C#N)c(-n6c7ccccc7c7ccc(-c8ccc(C#N)cc8)cc76)c5)ccc4C#N)c3c2)cc1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cc(-c2ccc(C#N)c(-n3c4ccc(-c5ccccc5C#N)cc4c4cc(-c5ccccc5[N+]#[C-])ccc43)c2)ccc1C#N
InChIInChI=1S/2C66H34N8.C52H28N6/c1-70-54-23-14-45(15-24-54)49-20-28-57-56-27-18-47(43-8-4-41(38-67)5-9-43)33-62(56)73(63(57)34-49)61-32-51(12-13-53(61)40-69)52-22-31-60(72-3)66(37-52)74-64-35-48(44-10-6-42(39-68)7-11-44)19-29-58(64)59-30-21-50(36-65(59)74)46-16-25-55(71-2)26-17-46;1-71-59-17-9-7-15-53(59)45-25-29-63-57(33-45)55-31-43(51-13-5-3-11-47(51)37-67)23-27-61(55)73(63)65-35-41(19-21-49(65)39-69)42-20-22-50(40-70)66(36-42)74-62-28-24-44(52-14-6-4-12-48(52)38-68)32-56(62)58-34-46(26-30-64(58)74)54-16-8-10-18-60(54)72-2;1-56-42-22-18-35(19-23-42)37-21-25-46-44-7-3-5-9-48(44)58(52(46)29-37)50-27-39(15-17-41(50)32-55)38-14-16-40(31-54)49(26-38)57-47-8-4-2-6-43(47)45-24-20-36(28-51(45)57)34-12-10-33(30-53)11-13-34/h4-37H;3-36H;2-29H
InChIKeyMYYBBVAOOCPEEV-UHFFFAOYSA-N
MW2614.95 g/mol
LogP47.33
Rot. Bonds19

About 4-[4-cyano-3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-[4-cyano-3-[2-(4-isocyanophenyl)carbazol-9-yl]phenyl]-2-[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile;2-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-[3-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-isocyanophenyl]benzonitrile

4-[4-cyano-3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-[4-cyano-3-[2-(4-isocyanophenyl)carbazol-9-yl]phenyl]-2-[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile;2-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-[3-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-isocyanophenyl]benzonitrile (PubChem CID 159711862) has the molecular formula C184H96N22 and a molecular weight of 2614.95 g/mol. Its IUPAC name is 4-[4-cyano-3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-[4-cyano-3-[2-(4-isocyanophenyl)carbazol-9-yl]phenyl]-2-[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile;2-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-[3-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-isocyanophenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-cyano-3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-[4-cyano-3-[2-(4-isocyanophenyl)carbazol-9-yl]phenyl]-2-[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile;2-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-[3-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-isocyanophenyl]benzonitrile
PubChem CID159711862
Molecular FormulaC184H96N22
Molecular Weight2614.95 g/mol
Exact Mass2612.82
IUPAC Name4-[4-cyano-3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-[4-cyano-3-[2-(4-isocyanophenyl)carbazol-9-yl]phenyl]-2-[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile;2-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-[3-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-isocyanophenyl]benzonitrile
SMILES[C-]#[N+]c1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cc(-c5ccc([N+]#[C-])c(-n6c7cc(-c8ccc(C#N)cc8)ccc7c7ccc(-c8ccc([N+]#[C-])cc8)cc76)c5)ccc4C#N)c3c2)cc1.[C-]#[N+]c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C#N)c(-n6c7ccccc7c7ccc(-c8ccc(C#N)cc8)cc76)c5)ccc4C#N)c3c2)cc1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cc(-c2ccc(C#N)c(-n3c4ccc(-c5ccccc5C#N)cc4c4cc(-c5ccccc5[N+]#[C-])ccc43)c2)ccc1C#N
InChIInChI=1S/2C66H34N8.C52H28N6/c1-70-54-23-14-45(15-24-54)49-20-28-57-56-27-18-47(43-8-4-41(38-67)5-9-43)33-62(56)73(63(57)34-49)61-32-51(12-13-53(61)40-69)52-22-31-60(72-3)66(37-52)74-64-35-48(44-10-6-42(39-68)7-11-44)19-29-58(64)59-30-21-50(36-65(59)74)46-16-25-55(71-2)26-17-46;1-71-59-17-9-7-15-53(59)45-25-29-63-57(33-45)55-31-43(51-13-5-3-11-47(51)37-67)23-27-61(55)73(63)65-35-41(19-21-49(65)39-69)42-20-22-50(40-70)66(36-42)74-62-28-24-44(52-14-6-4-12-48(52)38-68)32-56(62)58-34-46(26-30-64(58)74)54-16-8-10-18-60(54)72-2;1-56-42-22-18-35(19-23-42)37-21-25-46-44-7-3-5-9-48(44)58(52(46)29-37)50-27-39(15-17-41(50)32-55)38-14-16-40(31-54)49(26-38)57-47-8-4-2-6-43(47)45-24-20-36(28-51(45)57)34-12-10-33(30-53)11-13-34/h4-37H;3-36H;2-29H
InChIKeyMYYBBVAOOCPEEV-UHFFFAOYSA-N
XLogP47.33
TPSA293.64 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms206
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002614.95
LogP ≤ 547.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4-[4-cyano-3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-[4-cyano-3-[2-(4-isocyanophenyl)carbazol-9-yl]phenyl]-2-[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile;2-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-[3-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-isocyanophenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyano-3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-[4-cyano-3-[2-(4-isocyanophenyl)carbazol-9-yl]phenyl]-2-[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile;2-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-[3-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-isocyanophenyl]benzonitrile?
The IUPAC name of 4-[4-cyano-3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-[4-cyano-3-[2-(4-isocyanophenyl)carbazol-9-yl]phenyl]-2-[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile;2-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-[3-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-isocyanophenyl]benzonitrile (CID 159711862) is 4-[4-cyano-3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-[4-cyano-3-[2-(4-isocyanophenyl)carbazol-9-yl]phenyl]-2-[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile;2-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-[3-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-isocyanophenyl]benzonitrile.
What is the SMILES notation for 4-[4-cyano-3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-[4-cyano-3-[2-(4-isocyanophenyl)carbazol-9-yl]phenyl]-2-[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile;2-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-[3-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-isocyanophenyl]benzonitrile?
The canonical SMILES for 4-[4-cyano-3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-[4-cyano-3-[2-(4-isocyanophenyl)carbazol-9-yl]phenyl]-2-[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile;2-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-[3-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-isocyanophenyl]benzonitrile is [C-]#[N+]c1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cc(-c5ccc([N+]#[C-])c(-n6c7cc(-c8ccc(C#N)cc8)ccc7c7ccc(-c8ccc([N+]#[C-])cc8)cc76)c5)ccc4C#N)c3c2)cc1.[C-]#[N+]c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C#N)c(-n6c7ccccc7c7ccc(-c8ccc(C#N)cc8)cc76)c5)ccc4C#N)c3c2)cc1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cc(-c2ccc(C#N)c(-n3c4ccc(-c5ccccc5C#N)cc4c4cc(-c5ccccc5[N+]#[C-])ccc43)c2)ccc1C#N.
What is the InChIKey of 4-[4-cyano-3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-[4-cyano-3-[2-(4-isocyanophenyl)carbazol-9-yl]phenyl]-2-[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile;2-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-[3-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-isocyanophenyl]benzonitrile?
The InChIKey is MYYBBVAOOCPEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C66H34N8.C52H28N6/c1-70-54-23-14-45(15-24-54)49-20-28-57-56-27-18-47(43-8-4-41(38-67)5-9-43)33-62(56)73(63(57)34-49)61-32-51(12-13-53(61)40-69)52-22-31-60(72-3)66(37-52)74-64-35-48(44-10-6-42(39-68)7-11-44)19-29-58(64)59-30-21-50(36-65(59)74)46-16-25-55(71-2)26-17-46;1-71-59-17-9-7-15-53(59)45-25-29-63-57(33-45)55-31-43(51-13-5-3-11-47(51)37-67)23-27-61(55)73(63)65-35-41(19-21-49(65)39-69)42-20-22-50(40-70)66(36-42)74-62-28-24-44(52-14-6-4-12-48(52)38-68)32-56(62)58-34-46(26-30-64(58)74)54-16-8-10-18-60(54)72-2;1-56-42-22-18-35(19-23-42)37-21-25-46-44-7-3-5-9-48(44)58(52(46)29-37)50-27-39(15-17-41(50)32-55)38-14-16-40(31-54)49(26-38)57-47-8-4-2-6-43(47)45-24-20-36(28-51(45)57)34-12-10-33(30-53)11-13-34/h4-37H;3-36H;2-29H.
What are the key properties of 4-[4-cyano-3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-[4-cyano-3-[2-(4-isocyanophenyl)carbazol-9-yl]phenyl]-2-[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile;2-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-[3-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-isocyanophenyl]benzonitrile?
4-[4-cyano-3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-[4-cyano-3-[2-(4-isocyanophenyl)carbazol-9-yl]phenyl]-2-[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile;2-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-[3-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-isocyanophenyl]benzonitrile has a molecular weight of 2614.95 g/mol, XLogP of 47.33, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyano-3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-[4-cyano-3-[2-(4-isocyanophenyl)carbazol-9-yl]phenyl]-2-[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile;2-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-[3-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-isocyanophenyl]benzonitrile is sourced from PubChem (CID 159711862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).