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

C140H79N17O3 — CID 162260590

IUPAC9-[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
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.N#Cc1ccc2c3ccc(C#N)cc3n(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/2C47H26N6O.C46H27N5O/c1-49-34-19-23-41-38(27-34)37-24-29(28-48)16-21-40(37)53(41)42-22-18-32(33-17-20-36-35-14-8-9-15-43(35)54-44(36)26-33)25-39(42)47-51-45(30-10-4-2-5-11-30)50-46(52-47)31-12-6-3-7-13-31;48-27-29-15-19-35-36-20-16-30(28-49)24-42(36)53(41(35)23-29)40-22-18-33(34-17-21-38-37-13-7-8-14-43(37)54-44(38)26-34)25-39(40)47-51-45(31-9-3-1-4-10-31)50-46(52-47)32-11-5-2-6-12-32;47-28-29-19-23-40-37(25-29)34-15-7-9-17-39(34)51(40)41-24-21-32(33-20-22-36-35-16-8-10-18-42(35)52-43(36)27-33)26-38(41)46-49-44(30-11-3-1-4-12-30)48-45(50-46)31-13-5-2-6-14-31/h2-27H;1-26H;1-27H
InChIKeyZZERRVBYRHWDTH-UHFFFAOYSA-N
MW2047.29 g/mol
LogP34.65
Rot. Bonds15

About 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

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 (PubChem CID 162260590) has the molecular formula C140H79N17O3 and a molecular weight of 2047.29 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID162260590
Molecular FormulaC140H79N17O3
Molecular Weight2047.29 g/mol
Exact Mass2045.66
IUPAC Name9-[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
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.N#Cc1ccc2c3ccc(C#N)cc3n(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/2C47H26N6O.C46H27N5O/c1-49-34-19-23-41-38(27-34)37-24-29(28-48)16-21-40(37)53(41)42-22-18-32(33-17-20-36-35-14-8-9-15-43(35)54-44(36)26-33)25-39(42)47-51-45(30-10-4-2-5-11-30)50-46(52-47)31-12-6-3-7-13-31;48-27-29-15-19-35-36-20-16-30(28-49)24-42(36)53(41(35)23-29)40-22-18-33(34-17-21-38-37-13-7-8-14-43(37)54-44(38)26-34)25-39(40)47-51-45(31-9-3-1-4-10-31)50-46(52-47)32-11-5-2-6-12-32;47-28-29-19-23-40-37(25-29)34-15-7-9-17-39(34)51(40)41-24-21-32(33-20-22-36-35-16-8-10-18-42(35)52-43(36)27-33)26-38(41)46-49-44(30-11-3-1-4-12-30)48-45(50-46)31-13-5-2-6-14-31/h2-27H;1-26H;1-27H
InChIKeyZZERRVBYRHWDTH-UHFFFAOYSA-N
XLogP34.65
TPSA269.74 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002047.29
LogP ≤ 534.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
3-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-isocyanobenzonitrile
CID 155627999
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 162500537
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 137414465
4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 155232240
9-[4-[2-(3-cyano-6-isocyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-cyanophenyl)phenyl]carbazole-3,6-dicarbonitrile
CID 162472052
9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 155233026
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162486312
3-[9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-isocyanobenzonitrile
CID 169045286
4-[3-(3-cyanophenyl)carbazol-9-yl]-3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]benzonitrile
CID 154603260
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(3-isocyanocarbazol-9-yl)-6-methylphenyl]phenyl]carbazole-3-carbonitrile
CID 159808998
4-[3-(2,4-diisocyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 140871886

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.N#Cc1ccc2c3ccc(C#N)cc3n(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 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?
The InChIKey is ZZERRVBYRHWDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H26N6O.C46H27N5O/c1-49-34-19-23-41-38(27-34)37-24-29(28-48)16-21-40(37)53(41)42-22-18-32(33-17-20-36-35-14-8-9-15-43(35)54-44(36)26-33)25-39(42)47-51-45(30-10-4-2-5-11-30)50-46(52-47)31-12-6-3-7-13-31;48-27-29-15-19-35-36-20-16-30(28-49)24-42(36)53(41(35)23-29)40-22-18-33(34-17-21-38-37-13-7-8-14-43(37)54-44(38)26-34)25-39(40)47-51-45(31-9-3-1-4-10-31)50-46(52-47)32-11-5-2-6-12-32;47-28-29-19-23-40-37(25-29)34-15-7-9-17-39(34)51(40)41-24-21-32(33-20-22-36-35-16-8-10-18-42(35)52-43(36)27-33)26-38(41)46-49-44(30-11-3-1-4-12-30)48-45(50-46)31-13-5-2-6-14-31/h2-27H;1-26H;1-27H.
What are the key properties of 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?
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 has a molecular weight of 2047.29 g/mol, XLogP of 34.65, 15 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162260590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).