9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]phenyl]carbazole-3-carbonitrile

C41H24N6 — CID 170522027

IUPAC9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]phenyl]carbazole-3-carbonitrile
SMILES[C-]#[N+]c1cc(-c2cccc(-n3c4ccccc4c4cc(C#N)ccc43)c2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C41H24N6/c1-43-33-23-31(22-32(24-33)41-45-39(28-11-4-2-5-12-28)44-40(46-41)29-13-6-3-7-14-29)30-15-10-16-34(25-30)47-37-18-9-8-17-35(37)36-21-27(26-42)19-20-38(36)47/h2-25H
InChIKeyACWVUGAYHCNZKX-UHFFFAOYSA-N
MW600.69 g/mol
LogP10.06
Rot. Bonds5

About 9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]phenyl]carbazole-3-carbonitrile

9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 170522027) has the molecular formula C41H24N6 and a molecular weight of 600.69 g/mol. Its IUPAC name is 9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]phenyl]carbazole-3-carbonitrile
PubChem CID170522027
Molecular FormulaC41H24N6
Molecular Weight600.69 g/mol
Exact Mass600.21
IUPAC Name9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]phenyl]carbazole-3-carbonitrile
SMILES[C-]#[N+]c1cc(-c2cccc(-n3c4ccccc4c4cc(C#N)ccc43)c2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C41H24N6/c1-43-33-23-31(22-32(24-33)41-45-39(28-11-4-2-5-12-28)44-40(46-41)29-13-6-3-7-14-29)30-15-10-16-34(25-30)47-37-18-9-8-17-35(37)36-21-27(26-42)19-20-38(36)47/h2-25H
InChIKeyACWVUGAYHCNZKX-UHFFFAOYSA-N
XLogP10.06
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.69
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]phenyl]carbazole-3-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

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-[3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140775511
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 162500621
9-[3-[3-(2-isocyano-11-phenylindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140823063
3-(3-isocyano-5-phenylphenyl)-9-phenyl-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole;6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile
CID 158088648
9-[9-[3-(4-isocyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 140760238
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-3-[3-(3-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 154603143
3-(2-carbazol-9-ylcarbazol-9-yl)-5-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(2-carbazol-9-yl-6-isocyanocarbazol-9-yl)-5-(3-carbazol-9-yl-5-isocyanophenyl)benzonitrile;9-[9-[3-(3-carbazol-9-yl-5-isocyanophenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile;9-[9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile
CID 159502999
3-[3-(3-carbazol-9-ylphenyl)-5-isocyanophenyl]-5-(10-phenylanthracen-9-yl)benzonitrile
CID 167336401
9-[3-[2-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 157137099
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzonitrile
CID 140871931
4-[3-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-3-[2-[3-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-5-isocyanophenyl]benzonitrile
CID 164744076

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]phenyl]carbazole-3-carbonitrile (CID 170522027) is 9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]phenyl]carbazole-3-carbonitrile is [C-]#[N+]c1cc(-c2cccc(-n3c4ccccc4c4cc(C#N)ccc43)c2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]phenyl]carbazole-3-carbonitrile?
The InChIKey is ACWVUGAYHCNZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N6/c1-43-33-23-31(22-32(24-33)41-45-39(28-11-4-2-5-12-28)44-40(46-41)29-13-6-3-7-14-29)30-15-10-16-34(25-30)47-37-18-9-8-17-35(37)36-21-27(26-42)19-20-38(36)47/h2-25H.
What are the key properties of 9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]phenyl]carbazole-3-carbonitrile?
9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]phenyl]carbazole-3-carbonitrile has a molecular weight of 600.69 g/mol, XLogP of 10.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 170522027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).