3-carbazol-9-ylphenanthro[9,10-e][1,2,4]triazine

C27H16N4 — CID 137491098

IUPAC3-carbazol-9-ylphenanthro[9,10-e][1,2,4]triazine
SMILESc1ccc2c(c1)c1ccccc1c1nc(-n3c4ccccc4c4ccccc43)nnc21
InChIInChI=1S/C27H16N4/c1-3-13-21-17(9-1)18-10-2-4-14-22(18)26-25(21)28-27(30-29-26)31-23-15-7-5-11-19(23)20-12-6-8-16-24(20)31/h1-16H
InChIKeyHCYGHLOCOCEJKI-UHFFFAOYSA-N
MW396.45 g/mol
LogP6.43
Rot. Bonds1

About 3-carbazol-9-ylphenanthro[9,10-e][1,2,4]triazine

3-carbazol-9-ylphenanthro[9,10-e][1,2,4]triazine (PubChem CID 137491098) has the molecular formula C27H16N4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-carbazol-9-ylphenanthro[9,10-e][1,2,4]triazine.

Molecular Properties

Compound Name3-carbazol-9-ylphenanthro[9,10-e][1,2,4]triazine
PubChem CID137491098
Molecular FormulaC27H16N4
Molecular Weight396.45 g/mol
Exact Mass396.14
IUPAC Name3-carbazol-9-ylphenanthro[9,10-e][1,2,4]triazine
SMILESc1ccc2c(c1)c1ccccc1c1nc(-n3c4ccccc4c4ccccc43)nnc21
InChIInChI=1S/C27H16N4/c1-3-13-21-17(9-1)18-10-2-4-14-22(18)26-25(21)28-27(30-29-26)31-23-15-7-5-11-19(23)20-12-6-8-16-24(20)31/h1-16H
InChIKeyHCYGHLOCOCEJKI-UHFFFAOYSA-N
XLogP6.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-carbazol-9-ylphenanthro[9,10-e][1,2,4]triazine 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

15-carbazol-9-yl-13,14,16-triazahexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene
CID 137491038
9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 149013970
3-[2,6-di(carbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89475591
9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole
CID 155367112
7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline
CID 129089080
9-bromo-2,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
CID 135379645
9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 59194526
[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylgermane
CID 170681730
9-[5-[3,5-bis(2-carbazol-9-ylpyrimidin-5-yl)phenyl]pyrimidin-2-yl]carbazole
CID 58827948
3-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89475592
2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 118232385
9-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]carbazole
CID 59194567

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-ylphenanthro[9,10-e][1,2,4]triazine?
The IUPAC name of 3-carbazol-9-ylphenanthro[9,10-e][1,2,4]triazine (CID 137491098) is 3-carbazol-9-ylphenanthro[9,10-e][1,2,4]triazine.
What is the SMILES notation for 3-carbazol-9-ylphenanthro[9,10-e][1,2,4]triazine?
The canonical SMILES for 3-carbazol-9-ylphenanthro[9,10-e][1,2,4]triazine is c1ccc2c(c1)c1ccccc1c1nc(-n3c4ccccc4c4ccccc43)nnc21.
What is the InChIKey of 3-carbazol-9-ylphenanthro[9,10-e][1,2,4]triazine?
The InChIKey is HCYGHLOCOCEJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16N4/c1-3-13-21-17(9-1)18-10-2-4-14-22(18)26-25(21)28-27(30-29-26)31-23-15-7-5-11-19(23)20-12-6-8-16-24(20)31/h1-16H.
What are the key properties of 3-carbazol-9-ylphenanthro[9,10-e][1,2,4]triazine?
3-carbazol-9-ylphenanthro[9,10-e][1,2,4]triazine has a molecular weight of 396.45 g/mol, XLogP of 6.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-ylphenanthro[9,10-e][1,2,4]triazine is sourced from PubChem (CID 137491098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).