2-phenylphenanthro[9,10-d]triazole

C20H13N3 — CID 626427

IUPAC2-phenylphenanthro[9,10-d]triazole
SMILESc1ccc(-n2nc3c4ccccc4c4ccccc4c3n2)cc1
InChIInChI=1S/C20H13N3/c1-2-8-14(9-3-1)23-21-19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)20(19)22-23/h1-13H
InChIKeyYEYUESDYKNXPEY-UHFFFAOYSA-N
MW295.35 g/mol
LogP4.73
Rot. Bonds1

About 2-phenylphenanthro[9,10-d]triazole

2-phenylphenanthro[9,10-d]triazole (PubChem CID 626427) has the molecular formula C20H13N3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-phenylphenanthro[9,10-d]triazole.

Molecular Properties

Compound Name2-phenylphenanthro[9,10-d]triazole
PubChem CID626427
Molecular FormulaC20H13N3
Molecular Weight295.35 g/mol
Exact Mass295.11
IUPAC Name2-phenylphenanthro[9,10-d]triazole
SMILESc1ccc(-n2nc3c4ccccc4c4ccccc4c3n2)cc1
InChIInChI=1S/C20H13N3/c1-2-8-14(9-3-1)23-21-19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)20(19)22-23/h1-13H
InChIKeyYEYUESDYKNXPEY-UHFFFAOYSA-N
XLogP4.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenylphenanthro[9,10-d]triazole?
The IUPAC name of 2-phenylphenanthro[9,10-d]triazole (CID 626427) is 2-phenylphenanthro[9,10-d]triazole.
What is the SMILES notation for 2-phenylphenanthro[9,10-d]triazole?
The canonical SMILES for 2-phenylphenanthro[9,10-d]triazole is c1ccc(-n2nc3c4ccccc4c4ccccc4c3n2)cc1.
What is the InChIKey of 2-phenylphenanthro[9,10-d]triazole?
The InChIKey is YEYUESDYKNXPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3/c1-2-8-14(9-3-1)23-21-19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)20(19)22-23/h1-13H.
What are the key properties of 2-phenylphenanthro[9,10-d]triazole?
2-phenylphenanthro[9,10-d]triazole has a molecular weight of 295.35 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylphenanthro[9,10-d]triazole is sourced from PubChem (CID 626427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).