5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

C93H77F6N32O2Pt5- — CID 158719616

IUPAC5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
SMILESCC1(C)C2CCC1c1c2n[n-]c1-c1nccc2ccccc12.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.Cc1n[n-]c(-c2ccccn2)n1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccccn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt]
InChIInChI=1S/C19H18N3.2C9H5F3N3.2C9H8N3.4C8H7N4.C6H5NO2.5Pt/c1-19(2)13-7-8-14(19)17-15(13)18(22-21-17)16-12-6-4-3-5-11(12)9-10-20-16;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-6-4-7(12-11-6)8-5-9-2-3-10-8;2*1-6-10-8(12-11-6)7-4-2-3-5-9-7;8-6(9)5-3-1-2-4-7-5;;;;;/h3-6,9-10,13-14H,7-8H2,1-2H3;2*1-5H;2*2-6H,1H3;4*2-5H,1H3;1-4H,(H,8,9);;;;;/q9*-1;;;4*+2
InChIKeySLHDYGHDDAWLOA-UHFFFAOYSA-N
MW2764.24 g/mol
LogP15.30
Rot. Bonds10

About 5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (PubChem CID 158719616) has the molecular formula C93H77F6N32O2Pt5- and a molecular weight of 2764.24 g/mol. Its IUPAC name is 5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).

Molecular Properties

Compound Name5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
PubChem CID158719616
Molecular FormulaC93H77F6N32O2Pt5-
Molecular Weight2764.24 g/mol
Exact Mass2762.51
IUPAC Name5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
SMILESCC1(C)C2CCC1c1c2n[n-]c1-c1nccc2ccccc12.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.Cc1n[n-]c(-c2ccccn2)n1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccccn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt]
InChIInChI=1S/C19H18N3.2C9H5F3N3.2C9H8N3.4C8H7N4.C6H5NO2.5Pt/c1-19(2)13-7-8-14(19)17-15(13)18(22-21-17)16-12-6-4-3-5-11(12)9-10-20-16;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-6-4-7(12-11-6)8-5-9-2-3-10-8;2*1-6-10-8(12-11-6)7-4-2-3-5-9-7;8-6(9)5-3-1-2-4-7-5;;;;;/h3-6,9-10,13-14H,7-8H2,1-2H3;2*1-5H;2*2-6H,1H3;4*2-5H,1H3;1-4H,(H,8,9);;;;;/q9*-1;;;4*+2
InChIKeySLHDYGHDDAWLOA-UHFFFAOYSA-N
XLogP15.30
TPSA460.67 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds10
Heavy Atoms138
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002764.24
LogP ≤ 515.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze 5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The IUPAC name of 5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (CID 158719616) is 5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).
What is the SMILES notation for 5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The canonical SMILES for 5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is CC1(C)C2CCC1c1c2n[n-]c1-c1nccc2ccccc12.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.Cc1n[n-]c(-c2ccccn2)n1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccccn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].
What is the InChIKey of 5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The InChIKey is SLHDYGHDDAWLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N3.2C9H5F3N3.2C9H8N3.4C8H7N4.C6H5NO2.5Pt/c1-19(2)13-7-8-14(19)17-15(13)18(22-21-17)16-12-6-4-3-5-11(12)9-10-20-16;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-6-4-7(12-11-6)8-5-9-2-3-10-8;2*1-6-10-8(12-11-6)7-4-2-3-5-9-7;8-6(9)5-3-1-2-4-7-5;;;;;/h3-6,9-10,13-14H,7-8H2,1-2H3;2*1-5H;2*2-6H,1H3;4*2-5H,1H3;1-4H,(H,8,9);;;;;/q9*-1;;;4*+2.
What are the key properties of 5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) has a molecular weight of 2764.24 g/mol, XLogP of 15.30, 10 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is sourced from PubChem (CID 158719616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).