7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;yttrium

C18H10N2Y-2 — CID 58813499

IUPAC7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;yttrium
SMILES[Y].[c-]1ccc2ccncc2c1-c1[c-]c2cnccc2cc1
InChIInChI=1S/C18H10N2.Y/c1-2-14-7-9-20-12-18(14)17(3-1)15-5-4-13-6-8-19-11-16(13)10-15;/h1-2,4-9,11-12H;/q-2;
InChIKeyHFASXUXMDKKEQT-UHFFFAOYSA-N
MW343.20 g/mol
LogP4.05
Rot. Bonds1

About 7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;yttrium

7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;yttrium (PubChem CID 58813499) has the molecular formula C18H10N2Y-2 and a molecular weight of 343.20 g/mol. Its IUPAC name is 7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;yttrium.

Molecular Properties

Compound Name7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;yttrium
PubChem CID58813499
Molecular FormulaC18H10N2Y-2
Molecular Weight343.20 g/mol
Exact Mass342.99
IUPAC Name7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;yttrium
SMILES[Y].[c-]1ccc2ccncc2c1-c1[c-]c2cnccc2cc1
InChIInChI=1S/C18H10N2.Y/c1-2-14-7-9-20-12-18(14)17(3-1)15-5-4-13-6-8-19-11-16(13)10-15;/h1-2,4-9,11-12H;/q-2;
InChIKeyHFASXUXMDKKEQT-UHFFFAOYSA-N
XLogP4.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,9-phenanthroline
CID 23271029
2-(2H-anthracen-2-id-1-yl)-1H-pentacen-1-ide;yttrium
CID 58813824
8,44-diazadodecacyclo[24.24.0.02,23.03,20.04,17.05,14.06,11.029,50.032,49.035,48.038,47.041,46]pentaconta-1(26),2(23),3(20),4(17),5(14),6(11),7,9,12,15,18,21,24,27,29(50),30,32(49),33,35(48),36,38(47),39,41(46),42,44-pentacosaene
CID 122389532
pyrido[3,4-f]phthalazine
CID 122577314
7-chloro-8-iodoisoquinoline
CID 142740347
2,6-naphthyridin-4-ylmethanol
CID 84651029
iridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline
CID 59404042
7-chloro-8-(trifluoromethyl)isoquinoline
CID 21393820
2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium)
CID 162057595
3-(6H-quinolin-6-id-5-yl)-4H-quinolin-4-ide;yttrium
CID 58813743
3-(2H-naphthalen-2-id-1-yl)-6-pyridin-2-yl-2H-pyridin-2-ide;yttrium
CID 58813552
1H-pyrazolo[4,5-h]isoquinoline
CID 70533280

Frequently Asked Questions

What is the IUPAC name of 7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;yttrium?
The IUPAC name of 7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;yttrium (CID 58813499) is 7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;yttrium.
What is the SMILES notation for 7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;yttrium?
The canonical SMILES for 7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;yttrium is [Y].[c-]1ccc2ccncc2c1-c1[c-]c2cnccc2cc1.
What is the InChIKey of 7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;yttrium?
The InChIKey is HFASXUXMDKKEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2.Y/c1-2-14-7-9-20-12-18(14)17(3-1)15-5-4-13-6-8-19-11-16(13)10-15;/h1-2,4-9,11-12H;/q-2;.
What are the key properties of 7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;yttrium?
7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;yttrium has a molecular weight of 343.20 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;yttrium is sourced from PubChem (CID 58813499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).