6-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-carbonitrile

C35H18N6O — CID 164821782

IUPAC6-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-carbonitrile
SMILESN#Cc1cccc(-c2nc(-c3cccc4c3oc3cccc(C#N)c34)nc(-n3c4ccccc4c4ccccc43)n2)c1
InChIInChI=1S/C35H18N6O/c36-19-21-8-5-9-22(18-21)33-38-34(27-14-7-13-26-31-23(20-37)10-6-17-30(31)42-32(26)27)40-35(39-33)41-28-15-3-1-11-24(28)25-12-2-4-16-29(25)41/h1-18H
InChIKeyMJPWQVUMGOGBNW-UHFFFAOYSA-N
MW538.57 g/mol
LogP7.95
Rot. Bonds3

About 6-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-carbonitrile

6-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-carbonitrile (PubChem CID 164821782) has the molecular formula C35H18N6O and a molecular weight of 538.57 g/mol. Its IUPAC name is 6-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-carbonitrile.

Molecular Properties

Compound Name6-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-carbonitrile
PubChem CID164821782
Molecular FormulaC35H18N6O
Molecular Weight538.57 g/mol
Exact Mass538.15
IUPAC Name6-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-carbonitrile
SMILESN#Cc1cccc(-c2nc(-c3cccc4c3oc3cccc(C#N)c34)nc(-n3c4ccccc4c4ccccc43)n2)c1
InChIInChI=1S/C35H18N6O/c36-19-21-8-5-9-22(18-21)33-38-34(27-14-7-13-26-31-23(20-37)10-6-17-30(31)42-32(26)27)40-35(39-33)41-28-15-3-1-11-24(28)25-12-2-4-16-29(25)41/h1-18H
InChIKeyMJPWQVUMGOGBNW-UHFFFAOYSA-N
XLogP7.95
TPSA104.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.57
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-carbonitrile 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

6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-carbonitrile
CID 164821811
3-[4-carbazol-9-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile
CID 155358006
3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 126591179
9-[4-(9-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952374
4-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzonitrile
CID 164821868
3-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 126580295
9-[4-(9-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155357986
3-[9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 155232627
2-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 148516299
9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572704
2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzonitrile
CID 157347372
3-[3-[4-(9-phenylcarbazol-3-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774788

Frequently Asked Questions

What is the IUPAC name of 6-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-carbonitrile?
The IUPAC name of 6-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-carbonitrile (CID 164821782) is 6-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-carbonitrile.
What is the SMILES notation for 6-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-carbonitrile?
The canonical SMILES for 6-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-carbonitrile is N#Cc1cccc(-c2nc(-c3cccc4c3oc3cccc(C#N)c34)nc(-n3c4ccccc4c4ccccc43)n2)c1.
What is the InChIKey of 6-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-carbonitrile?
The InChIKey is MJPWQVUMGOGBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H18N6O/c36-19-21-8-5-9-22(18-21)33-38-34(27-14-7-13-26-31-23(20-37)10-6-17-30(31)42-32(26)27)40-35(39-33)41-28-15-3-1-11-24(28)25-12-2-4-16-29(25)41/h1-18H.
What are the key properties of 6-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-carbonitrile?
6-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-carbonitrile has a molecular weight of 538.57 g/mol, XLogP of 7.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-carbonitrile is sourced from PubChem (CID 164821782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).