2,4,6-triphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium

C24H17N5 — CID 10915762

IUPAC2,4,6-triphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium
SMILESc1ccc(-c2cc(-c3ccccc3)[n+](-c3nnn[n-]3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H17N5/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)29(24-25-27-28-26-24)23(17-21)20-14-8-3-9-15-20/h1-17H
InChIKeyWMALFFBZNPPFNT-UHFFFAOYSA-N
MW375.44 g/mol
LogP4.11
Rot. Bonds4

About 2,4,6-triphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium

2,4,6-triphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium (PubChem CID 10915762) has the molecular formula C24H17N5 and a molecular weight of 375.44 g/mol. Its IUPAC name is 2,4,6-triphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium.

Molecular Properties

Compound Name2,4,6-triphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium
PubChem CID10915762
Molecular FormulaC24H17N5
Molecular Weight375.44 g/mol
Exact Mass375.15
IUPAC Name2,4,6-triphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium
SMILESc1ccc(-c2cc(-c3ccccc3)[n+](-c3nnn[n-]3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H17N5/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)29(24-25-27-28-26-24)23(17-21)20-14-8-3-9-15-20/h1-17H
InChIKeyWMALFFBZNPPFNT-UHFFFAOYSA-N
XLogP4.11
TPSA56.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium?
The IUPAC name of 2,4,6-triphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium (CID 10915762) is 2,4,6-triphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium.
What is the SMILES notation for 2,4,6-triphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium?
The canonical SMILES for 2,4,6-triphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium is c1ccc(-c2cc(-c3ccccc3)[n+](-c3nnn[n-]3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 2,4,6-triphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium?
The InChIKey is WMALFFBZNPPFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)29(24-25-27-28-26-24)23(17-21)20-14-8-3-9-15-20/h1-17H.
What are the key properties of 2,4,6-triphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium?
2,4,6-triphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium has a molecular weight of 375.44 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenyl-1-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-1-ium is sourced from PubChem (CID 10915762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).