4-[6-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[7-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-isocyanobenzonitrile;4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile

C175H94N22O3 — CID 157460815

IUPAC4-[6-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[7-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-isocyanobenzonitrile;4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile
SMILES[C-]#[N+]c1cc(C#N)ccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3oc4ccccc4c3c2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4[N+]#[C-])ccc2n3-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C#N)c1.[C-]#[N+]c1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5[N+]#[C-])cc4n(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C#N)c1
InChIInChI=1S/2C61H32N8O.C53H30N6O/c1-64-45-22-24-46(44(30-45)36-63)42-19-26-54-49(33-42)50-34-43(47-23-17-37(35-62)29-53(47)65-2)20-27-55(50)69(54)56-25-18-40(41-21-28-58-51(31-41)48-15-9-10-16-57(48)70-58)32-52(56)61-67-59(38-11-5-3-6-12-38)66-60(68-61)39-13-7-4-8-14-39;1-64-45-22-26-46(44(30-45)36-63)42-18-24-48-49-25-19-43(47-23-17-37(35-62)29-53(47)65-2)34-56(49)69(55(48)33-42)54-27-20-40(41-21-28-58-51(31-41)50-15-9-10-16-57(50)70-58)32-52(54)61-67-59(38-11-5-3-6-12-38)66-60(68-61)39-13-7-4-8-14-39;1-55-45-28-33(32-54)20-24-39(45)38-22-26-47-42(31-38)40-16-8-10-18-46(40)59(47)48-25-21-36(37-23-27-50-43(29-37)41-17-9-11-19-49(41)60-50)30-44(48)53-57-51(34-12-4-2-5-13-34)56-52(58-53)35-14-6-3-7-15-35/h2*3-34H;2-31H
InChIKeyBTWZWXNWNDXCSH-UHFFFAOYSA-N
MW2552.83 g/mol
LogP45.06
Rot. Bonds20

About 4-[6-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[7-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-isocyanobenzonitrile;4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile

4-[6-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[7-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-isocyanobenzonitrile;4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile (PubChem CID 157460815) has the molecular formula C175H94N22O3 and a molecular weight of 2552.83 g/mol. Its IUPAC name is 4-[6-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[7-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-isocyanobenzonitrile;4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile.

Molecular Properties

Compound Name4-[6-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[7-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-isocyanobenzonitrile;4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile
PubChem CID157460815
Molecular FormulaC175H94N22O3
Molecular Weight2552.83 g/mol
Exact Mass2550.79
IUPAC Name4-[6-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[7-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-isocyanobenzonitrile;4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile
SMILES[C-]#[N+]c1cc(C#N)ccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3oc4ccccc4c3c2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4[N+]#[C-])ccc2n3-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C#N)c1.[C-]#[N+]c1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5[N+]#[C-])cc4n(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C#N)c1
InChIInChI=1S/2C61H32N8O.C53H30N6O/c1-64-45-22-24-46(44(30-45)36-63)42-19-26-54-49(33-42)50-34-43(47-23-17-37(35-62)29-53(47)65-2)20-27-55(50)69(54)56-25-18-40(41-21-28-58-51(31-41)48-15-9-10-16-57(48)70-58)32-52(56)61-67-59(38-11-5-3-6-12-38)66-60(68-61)39-13-7-4-8-14-39;1-64-45-22-26-46(44(30-45)36-63)42-18-24-48-49-25-19-43(47-23-17-37(35-62)29-53(47)65-2)34-56(49)69(55(48)33-42)54-27-20-40(41-21-28-58-51(31-41)50-15-9-10-16-57(50)70-58)32-52(54)61-67-59(38-11-5-3-6-12-38)66-60(68-61)39-13-7-4-8-14-39;1-55-45-28-33(32-54)20-24-39(45)38-22-26-47-42(31-38)40-16-8-10-18-46(40)59(47)48-25-21-36(37-23-27-50-43(29-37)41-17-9-11-19-49(41)60-50)30-44(48)53-57-51(34-12-4-2-5-13-34)56-52(58-53)35-14-6-3-7-15-35/h2*3-34H;2-31H
InChIKeyBTWZWXNWNDXCSH-UHFFFAOYSA-N
XLogP45.06
TPSA310.97 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002552.83
LogP ≤ 545.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 4-[6-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[7-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-isocyanobenzonitrile;4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile 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

4-[7-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-isocyanobenzonitrile
CID 169045311
4-[9-[4-(2-carbazol-9-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]-3-isocyanobenzonitrile
CID 155636724
9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-2,7-dicarbonitrile;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 162260590
4-[6-(2-cyano-4-isocyanophenyl)-9-[4-[2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-(4-cyanophenyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile
CID 153432177
4-[6-(4-cyano-2-isocyanophenyl)-9-[2-[4-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155636603
4-[3-(2,4-diisocyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 140871886
3-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-isocyanobenzonitrile
CID 155627999
4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 155232240
4-[9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155232747
4-[9-[4-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazol-3-yl]-3-isocyanobenzonitrile
CID 156679433
4-[6-(4-cyano-2-isocyanophenyl)-9-[2-[5-[3-(4-cyano-2-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(4-cyanophenyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 153432092
3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 154603206

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[7-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-isocyanobenzonitrile;4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile?
The IUPAC name of 4-[6-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[7-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-isocyanobenzonitrile;4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile (CID 157460815) is 4-[6-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[7-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-isocyanobenzonitrile;4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile.
What is the SMILES notation for 4-[6-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[7-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-isocyanobenzonitrile;4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile?
The canonical SMILES for 4-[6-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[7-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-isocyanobenzonitrile;4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile is [C-]#[N+]c1cc(C#N)ccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3oc4ccccc4c3c2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4[N+]#[C-])ccc2n3-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C#N)c1.[C-]#[N+]c1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5[N+]#[C-])cc4n(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C#N)c1.
What is the InChIKey of 4-[6-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[7-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-isocyanobenzonitrile;4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile?
The InChIKey is BTWZWXNWNDXCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C61H32N8O.C53H30N6O/c1-64-45-22-24-46(44(30-45)36-63)42-19-26-54-49(33-42)50-34-43(47-23-17-37(35-62)29-53(47)65-2)20-27-55(50)69(54)56-25-18-40(41-21-28-58-51(31-41)48-15-9-10-16-57(48)70-58)32-52(56)61-67-59(38-11-5-3-6-12-38)66-60(68-61)39-13-7-4-8-14-39;1-64-45-22-26-46(44(30-45)36-63)42-18-24-48-49-25-19-43(47-23-17-37(35-62)29-53(47)65-2)34-56(49)69(55(48)33-42)54-27-20-40(41-21-28-58-51(31-41)50-15-9-10-16-57(50)70-58)32-52(54)61-67-59(38-11-5-3-6-12-38)66-60(68-61)39-13-7-4-8-14-39;1-55-45-28-33(32-54)20-24-39(45)38-22-26-47-42(31-38)40-16-8-10-18-46(40)59(47)48-25-21-36(37-23-27-50-43(29-37)41-17-9-11-19-49(41)60-50)30-44(48)53-57-51(34-12-4-2-5-13-34)56-52(58-53)35-14-6-3-7-15-35/h2*3-34H;2-31H.
What are the key properties of 4-[6-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[7-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-isocyanobenzonitrile;4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile?
4-[6-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[7-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-isocyanobenzonitrile;4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile has a molecular weight of 2552.83 g/mol, XLogP of 45.06, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[7-(2-cyano-4-isocyanophenyl)-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-isocyanobenzonitrile;4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile is sourced from PubChem (CID 157460815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).