6-[6-(8-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine

C30H19N5 — CID 176819051

IUPAC6-[6-(8-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine
SMILESc1ccc(-c2cccn3nc(-c4cccc(-c5nc6ccccc6c6ccccc56)n4)nc23)cc1
InChIInChI=1S/C30H19N5/c1-2-10-20(11-3-1)21-15-9-19-35-30(21)33-29(34-35)27-18-8-17-26(31-27)28-24-14-5-4-12-22(24)23-13-6-7-16-25(23)32-28/h1-19H
InChIKeyNSFDYQAUCCAQJD-UHFFFAOYSA-N
MW449.52 g/mol
LogP6.83
Rot. Bonds3

About 6-[6-(8-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine

6-[6-(8-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine (PubChem CID 176819051) has the molecular formula C30H19N5 and a molecular weight of 449.52 g/mol. Its IUPAC name is 6-[6-(8-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine.

Molecular Properties

Compound Name6-[6-(8-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine
PubChem CID176819051
Molecular FormulaC30H19N5
Molecular Weight449.52 g/mol
Exact Mass449.16
IUPAC Name6-[6-(8-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine
SMILESc1ccc(-c2cccn3nc(-c4cccc(-c5nc6ccccc6c6ccccc56)n4)nc23)cc1
InChIInChI=1S/C30H19N5/c1-2-10-20(11-3-1)21-15-9-19-35-30(21)33-29(34-35)27-18-8-17-26(31-27)28-24-14-5-4-12-22(24)23-13-6-7-16-25(23)32-28/h1-19H
InChIKeyNSFDYQAUCCAQJD-UHFFFAOYSA-N
XLogP6.83
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.52
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(6-phenanthridin-6-yl-2-pyridinyl)phenyl]-9-phenyl-1,10-phenanthroline
CID 171832717
6-[6-(3-chlorophenyl)-2-pyridinyl]phenanthridine
CID 171832740
2-[3-(6-chloronaphthalen-2-yl)phenyl]-8-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 142605509
6-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine
CID 176818963
6-[6-[3-[3-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine
CID 176818932
6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]phenyl]phenanthridine
CID 129201356
3-bromo-2-(6-methyl-2-pyridinyl)-4-phenylpyrazolo[1,5-a]pyridine
CID 69365246
6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenanthridine
CID 176818956
6-[3-[4-(3-phenanthridin-6-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine
CID 129265621
2,6-dinaphthalen-1-yl-4-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline
CID 70958772
3-[3-[2-(4-carbazol-9-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]-9-cyclohexa-1,2,3,5-tetraen-1-ylcarbazole
CID 144875938
6-[6-[2-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-4-pyridinyl]-2-pyridinyl]phenanthridine
CID 176819163

Frequently Asked Questions

What is the IUPAC name of 6-[6-(8-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine?
The IUPAC name of 6-[6-(8-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine (CID 176819051) is 6-[6-(8-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine.
What is the SMILES notation for 6-[6-(8-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine?
The canonical SMILES for 6-[6-(8-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine is c1ccc(-c2cccn3nc(-c4cccc(-c5nc6ccccc6c6ccccc56)n4)nc23)cc1.
What is the InChIKey of 6-[6-(8-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine?
The InChIKey is NSFDYQAUCCAQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N5/c1-2-10-20(11-3-1)21-15-9-19-35-30(21)33-29(34-35)27-18-8-17-26(31-27)28-24-14-5-4-12-22(24)23-13-6-7-16-25(23)32-28/h1-19H.
What are the key properties of 6-[6-(8-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine?
6-[6-(8-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine has a molecular weight of 449.52 g/mol, XLogP of 6.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(8-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine is sourced from PubChem (CID 176819051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).