bis(8-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-8-[3-(8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum

C76H48N18Pt2-6 — CID 155609668

IUPACbis(8-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-8-[3-(8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum
SMILESCN1[CH-]N(C2(c3[c-]c(C4(c5cc[n-]n5)c5cnccc5-c5ccncc54)ccc3)c3cnccc3-c3ccncc32)c2ncccc21.CN1[CH-]N(C2(c3[c-]c(C4(c5cc[n-]n5)c5cnccc5-c5ccncc54)ccc3)c3cnccc3-c3ccncc32)c2ncccc21.[Pt].[Pt]
InChIInChI=1S/2C38H24N9.2Pt/c2*1-46-23-47(36-34(46)6-3-12-43-36)38(32-21-41-15-9-28(32)29-10-16-42-22-33(29)38)25-5-2-4-24(18-25)37(35-11-17-44-45-35)30-19-39-13-7-26(30)27-8-14-40-20-31(27)37;;/h2*2-17,19-23H,1H3;;/q2*-3;;
InChIKeyOGYIDAASTLQUGU-UHFFFAOYSA-N
MW1603.50 g/mol
LogP11.05
Rot. Bonds8

About bis(8-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-8-[3-(8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum

bis(8-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-8-[3-(8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum (PubChem CID 155609668) has the molecular formula C76H48N18Pt2-6 and a molecular weight of 1603.50 g/mol. Its IUPAC name is bis(8-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-8-[3-(8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum.

Molecular Properties

Compound Namebis(8-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-8-[3-(8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum
PubChem CID155609668
Molecular FormulaC76H48N18Pt2-6
Molecular Weight1603.50 g/mol
Exact Mass1602.36
IUPAC Namebis(8-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-8-[3-(8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum
SMILESCN1[CH-]N(C2(c3[c-]c(C4(c5cc[n-]n5)c5cnccc5-c5ccncc54)ccc3)c3cnccc3-c3ccncc32)c2ncccc21.CN1[CH-]N(C2(c3[c-]c(C4(c5cc[n-]n5)c5cnccc5-c5ccncc54)ccc3)c3cnccc3-c3ccncc32)c2ncccc21.[Pt].[Pt]
InChIInChI=1S/2C38H24N9.2Pt/c2*1-46-23-47(36-34(46)6-3-12-43-36)38(32-21-41-15-9-28(32)29-10-16-42-22-33(29)38)25-5-2-4-24(18-25)37(35-11-17-44-45-35)30-19-39-13-7-26(30)27-8-14-40-20-31(27)37;;/h2*2-17,19-23H,1H3;;/q2*-3;;
InChIKeyOGYIDAASTLQUGU-UHFFFAOYSA-N
XLogP11.05
TPSA195.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms96
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001603.50
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze bis(8-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-8-[3-(8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(8-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-8-[3-(8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum?
The IUPAC name of bis(8-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-8-[3-(8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum (CID 155609668) is bis(8-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-8-[3-(8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum.
What is the SMILES notation for bis(8-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-8-[3-(8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum?
The canonical SMILES for bis(8-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-8-[3-(8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum is CN1[CH-]N(C2(c3[c-]c(C4(c5cc[n-]n5)c5cnccc5-c5ccncc54)ccc3)c3cnccc3-c3ccncc32)c2ncccc21.CN1[CH-]N(C2(c3[c-]c(C4(c5cc[n-]n5)c5cnccc5-c5ccncc54)ccc3)c3cnccc3-c3ccncc32)c2ncccc21.[Pt].[Pt].
What is the InChIKey of bis(8-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-8-[3-(8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum?
The InChIKey is OGYIDAASTLQUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H24N9.2Pt/c2*1-46-23-47(36-34(46)6-3-12-43-36)38(32-21-41-15-9-28(32)29-10-16-42-22-33(29)38)25-5-2-4-24(18-25)37(35-11-17-44-45-35)30-19-39-13-7-26(30)27-8-14-40-20-31(27)37;;/h2*2-17,19-23H,1H3;;/q2*-3;;.
What are the key properties of bis(8-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-8-[3-(8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum?
bis(8-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-8-[3-(8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum has a molecular weight of 1603.50 g/mol, XLogP of 11.05, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-8-[3-(8-pyrazol-1-id-3-yl-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);platinum is sourced from PubChem (CID 155609668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).