3-phenyl-1-[(3-phenylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine

C26H18N4Se2 — CID 102267342

IUPAC3-phenyl-1-[(3-phenylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine
SMILESc1ccc(-c2nc([Se][Se]c3nc(-c4ccccc4)n4ccccc34)c3ccccn23)cc1
InChIInChI=1S/C26H18N4Se2/c1-3-11-19(12-4-1)23-27-25(21-15-7-9-17-29(21)23)31-32-26-22-16-8-10-18-30(22)24(28-26)20-13-5-2-6-14-20/h1-18H
InChIKeyROQKELANNMQOCH-UHFFFAOYSA-N
MW544.38 g/mol
LogP3.59
Rot. Bonds5

About 3-phenyl-1-[(3-phenylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine

3-phenyl-1-[(3-phenylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine (PubChem CID 102267342) has the molecular formula C26H18N4Se2 and a molecular weight of 544.38 g/mol. Its IUPAC name is 3-phenyl-1-[(3-phenylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-phenyl-1-[(3-phenylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine
PubChem CID102267342
Molecular FormulaC26H18N4Se2
Molecular Weight544.38 g/mol
Exact Mass545.99
IUPAC Name3-phenyl-1-[(3-phenylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine
SMILESc1ccc(-c2nc([Se][Se]c3nc(-c4ccccc4)n4ccccc34)c3ccccn23)cc1
InChIInChI=1S/C26H18N4Se2/c1-3-11-19(12-4-1)23-27-25(21-15-7-9-17-29(21)23)31-32-26-22-16-8-10-18-30(22)24(28-26)20-13-5-2-6-14-20/h1-18H
InChIKeyROQKELANNMQOCH-UHFFFAOYSA-N
XLogP3.59
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine
CID 139262366
3-[4-(trifluoromethyl)phenyl]-1-[[3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine
CID 139262365
1-ethynyl-3-phenylimidazo[1,5-a]pyridine
CID 53468720
3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine
CID 132506865
1-(3-phenylimidazo[1,5-a]pyridin-1-yl)propan-2-amine
CID 82021135
3-thiophen-2-yl-1-(3-thiophen-2-ylimidazo[1,5-a]pyridin-1-yl)selanylimidazo[1,5-a]pyridine
CID 139262364
3-(4-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 28752075
3-pyridin-2-yl-1-[(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)selanylmethylselanyl]imidazo[1,5-a]pyridine
CID 102300548
1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine
CID 117250849
4-(1-chloroimidazo[1,5-a]pyridin-3-yl)phenol
CID 137005619
1-phenyl-3-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)ethyl]imidazo[1,5-a]pyridine
CID 132506858
3-(3,5-dinaphthalen-2-ylphenyl)-1-phenylimidazo[1,5-a]pyridine
CID 129257002

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[(3-phenylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine?
The IUPAC name of 3-phenyl-1-[(3-phenylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine (CID 102267342) is 3-phenyl-1-[(3-phenylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-phenyl-1-[(3-phenylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 3-phenyl-1-[(3-phenylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine is c1ccc(-c2nc([Se][Se]c3nc(-c4ccccc4)n4ccccc34)c3ccccn23)cc1.
What is the InChIKey of 3-phenyl-1-[(3-phenylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine?
The InChIKey is ROQKELANNMQOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4Se2/c1-3-11-19(12-4-1)23-27-25(21-15-7-9-17-29(21)23)31-32-26-22-16-8-10-18-30(22)24(28-26)20-13-5-2-6-14-20/h1-18H.
What are the key properties of 3-phenyl-1-[(3-phenylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine?
3-phenyl-1-[(3-phenylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine has a molecular weight of 544.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[(3-phenylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 102267342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).