4-methyl-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C11H8N2Se — CID 159563538

IUPAC4-methyl-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1ccc2[se]c3cccnc3c2n1
InChIInChI=1S/C11H8N2Se/c1-7-4-5-9-11(13-7)10-8(14-9)3-2-6-12-10/h2-6H,1H3
InChIKeyFOZUWLAFLVQKCN-UHFFFAOYSA-N
MW247.16 g/mol
LogP2.15
Rot. Bonds

About 4-methyl-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-methyl-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 159563538) has the molecular formula C11H8N2Se and a molecular weight of 247.16 g/mol. Its IUPAC name is 4-methyl-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4-methyl-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID159563538
Molecular FormulaC11H8N2Se
Molecular Weight247.16 g/mol
Exact Mass247.99
IUPAC Name4-methyl-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1ccc2[se]c3cccnc3c2n1
InChIInChI=1S/C11H8N2Se/c1-7-4-5-9-11(13-7)10-8(14-9)3-2-6-12-10/h2-6H,1H3
InChIKeyFOZUWLAFLVQKCN-UHFFFAOYSA-N
XLogP2.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dichloroiron;2-methyl-1,10-phenanthroline
CID 175695507
4-methyl-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58704078
6-methyl-10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
CID 11426561
3-N-(2-methylquinolin-8-yl)pyridine-2,3-diamine
CID 104540323
20-oxa-12-selena-7-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6(11),7,9,13,15,17-nonaene
CID 164814910
8-methoxy-2-methyl-5,7-dipyridin-2-ylquinoline
CID 21024858
2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline
CID 11425448
2,8-dimethyl-1,7-naphthyridine
CID 118895197
methanol;quinolin-8-ol
CID 161490698
5,6-dimethyl-1,7-phenanthroline
CID 67494959
3,6-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 140706892
2-methyl-9-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 159054381

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4-methyl-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 159563538) is 4-methyl-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4-methyl-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4-methyl-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cc1ccc2[se]c3cccnc3c2n1.
What is the InChIKey of 4-methyl-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is FOZUWLAFLVQKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2Se/c1-7-4-5-9-11(13-7)10-8(14-9)3-2-6-12-10/h2-6H,1H3.
What are the key properties of 4-methyl-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-methyl-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 247.16 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-selena-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 159563538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).