bis(platinum(2+));2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-[1]benzothiolo[2,3-c]pyrazole;9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[3,4-b]indol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide

C69H40N10O2Pt2S — CID 161364616

IUPACbis(platinum(2+));2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-[1]benzothiolo[2,3-c]pyrazole;9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[3,4-b]indol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide
SMILES[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1cc2c(n1)sc1ccccc12.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1cc2c3ccccc3n(-c3ccccn3)c2n1
InChIInChI=1S/C37H22N6O.C32H18N4OS.2Pt/c1-3-14-32-28(12-1)30-19-18-27(23-34(30)42(32)35-16-5-7-20-38-35)44-26-11-9-10-25(22-26)41-24-31-29-13-2-4-15-33(29)43(37(31)40-41)36-17-6-8-21-39-36;1-3-12-28-24(10-1)25-16-15-23(19-29(25)36(28)31-14-5-6-17-33-31)37-22-9-7-8-21(18-22)35-20-27-26-11-2-4-13-30(26)38-32(27)34-35;;/h1-21,24H;1-17,20H;;/q2*-2;2*+2
InChIKeyUCLUVSAQMBLHGO-UHFFFAOYSA-N
MW1463.37 g/mol
LogP16.37
Rot. Bonds9

About bis(platinum(2+));2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-[1]benzothiolo[2,3-c]pyrazole;9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[3,4-b]indol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide

bis(platinum(2+));2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-[1]benzothiolo[2,3-c]pyrazole;9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[3,4-b]indol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide (PubChem CID 161364616) has the molecular formula C69H40N10O2Pt2S and a molecular weight of 1463.37 g/mol. Its IUPAC name is bis(platinum(2+));2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-[1]benzothiolo[2,3-c]pyrazole;9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[3,4-b]indol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide.

Molecular Properties

Compound Namebis(platinum(2+));2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-[1]benzothiolo[2,3-c]pyrazole;9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[3,4-b]indol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide
PubChem CID161364616
Molecular FormulaC69H40N10O2Pt2S
Molecular Weight1463.37 g/mol
Exact Mass1462.24
IUPAC Namebis(platinum(2+));2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-[1]benzothiolo[2,3-c]pyrazole;9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[3,4-b]indol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide
SMILES[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1cc2c(n1)sc1ccccc12.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1cc2c3ccccc3n(-c3ccccn3)c2n1
InChIInChI=1S/C37H22N6O.C32H18N4OS.2Pt/c1-3-14-32-28(12-1)30-19-18-27(23-34(30)42(32)35-16-5-7-20-38-35)44-26-11-9-10-25(22-26)41-24-31-29-13-2-4-15-33(29)43(37(31)40-41)36-17-6-8-21-39-36;1-3-12-28-24(10-1)25-16-15-23(19-29(25)36(28)31-14-5-6-17-33-31)37-22-9-7-8-21(18-22)35-20-27-26-11-2-4-13-30(26)38-32(27)34-35;;/h1-21,24H;1-17,20H;;/q2*-2;2*+2
InChIKeyUCLUVSAQMBLHGO-UHFFFAOYSA-N
XLogP16.37
TPSA107.56 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001463.37
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze bis(platinum(2+));2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-[1]benzothiolo[2,3-c]pyrazole;9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[3,4-b]indol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(platinum(2+));2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-[1]benzothiolo[2,3-c]pyrazole;9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[3,4-b]indol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide?
The IUPAC name of bis(platinum(2+));2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-[1]benzothiolo[2,3-c]pyrazole;9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[3,4-b]indol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide (CID 161364616) is bis(platinum(2+));2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-[1]benzothiolo[2,3-c]pyrazole;9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[3,4-b]indol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide.
What is the SMILES notation for bis(platinum(2+));2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-[1]benzothiolo[2,3-c]pyrazole;9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[3,4-b]indol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide?
The canonical SMILES for bis(platinum(2+));2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-[1]benzothiolo[2,3-c]pyrazole;9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[3,4-b]indol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide is [Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1cc2c(n1)sc1ccccc12.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1cc2c3ccccc3n(-c3ccccn3)c2n1.
What is the InChIKey of bis(platinum(2+));2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-[1]benzothiolo[2,3-c]pyrazole;9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[3,4-b]indol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide?
The InChIKey is UCLUVSAQMBLHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N6O.C32H18N4OS.2Pt/c1-3-14-32-28(12-1)30-19-18-27(23-34(30)42(32)35-16-5-7-20-38-35)44-26-11-9-10-25(22-26)41-24-31-29-13-2-4-15-33(29)43(37(31)40-41)36-17-6-8-21-39-36;1-3-12-28-24(10-1)25-16-15-23(19-29(25)36(28)31-14-5-6-17-33-31)37-22-9-7-8-21(18-22)35-20-27-26-11-2-4-13-30(26)38-32(27)34-35;;/h1-21,24H;1-17,20H;;/q2*-2;2*+2.
What are the key properties of bis(platinum(2+));2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-[1]benzothiolo[2,3-c]pyrazole;9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[3,4-b]indol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide?
bis(platinum(2+));2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-[1]benzothiolo[2,3-c]pyrazole;9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[3,4-b]indol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide has a molecular weight of 1463.37 g/mol, XLogP of 16.37, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(platinum(2+));2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-[1]benzothiolo[2,3-c]pyrazole;9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[3,4-b]indol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide is sourced from PubChem (CID 161364616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).