5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]pyrido[4,3-b]indole;bis(9-methylcarbazole);bis(9-methylpyrido[2,3-b]indole);platinum;tetrakis(platinum(2+));bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-oxazole);bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-thiazole)

C154H111N24O7Pt5S2-3 — CID 159877268

IUPAC5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]pyrido[4,3-b]indole;bis(9-methylcarbazole);bis(9-methylpyrido[2,3-b]indole);platinum;tetrakis(platinum(2+));bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-oxazole);bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-thiazole)
SMILESCc1nn(-c2[c-]c(Oc3[c-]c(N4C=CN(C)[CH-]4)ccc3)ccc2)c(C)c1-n1c2ccccc2c2cnccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2cccnc21.Cn1c2ccccc2c2cccnc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(Oc2[c-]c(-n3cccn3)ccc2)cccc1-c1ncco1.[c-]1c(Oc2[c-]c(-n3cccn3)ccc2)cccc1-c1ncco1.[c-]1c(Oc2[c-]c(-n3cccn3)ccc2)cccc1-c1nccs1.[c-]1c(Oc2[c-]c(-n3cccn3)ccc2)cccc1-c1nccs1
InChIInChI=1S/C32H25N6O.2C18H11N3O2.2C18H11N3OS.2C13H11N.2C12H10N2.5Pt/c1-22-32(37-30-13-5-4-12-28(30)29-20-33-15-14-31(29)37)23(2)38(34-22)25-9-7-11-27(19-25)39-26-10-6-8-24(18-26)36-17-16-35(3)21-36;2*1-4-14(18-19-9-11-22-18)12-16(6-1)23-17-7-2-5-15(13-17)21-10-3-8-20-21;2*1-4-14(18-19-9-11-23-18)12-16(6-1)22-17-7-2-5-15(13-17)21-10-3-8-20-21;2*1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2*1-14-11-7-3-2-5-9(11)10-6-4-8-13-12(10)14;;;;;/h4-17,20-21H,1-3H3;4*1-11H;2*2-9H,1H3;2*2-8H,1H3;;;;;/q-3;4*-2;;;;;;4*+2
InChIKeyPVBOGSRIPUDPML-UHFFFAOYSA-N
MW3449.27 g/mol
LogP35.44
Rot. Bonds21

About 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]pyrido[4,3-b]indole;bis(9-methylcarbazole);bis(9-methylpyrido[2,3-b]indole);platinum;tetrakis(platinum(2+));bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-oxazole);bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-thiazole)

5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]pyrido[4,3-b]indole;bis(9-methylcarbazole);bis(9-methylpyrido[2,3-b]indole);platinum;tetrakis(platinum(2+));bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-oxazole);bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-thiazole) (PubChem CID 159877268) has the molecular formula C154H111N24O7Pt5S2-3 and a molecular weight of 3449.27 g/mol. Its IUPAC name is 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]pyrido[4,3-b]indole;bis(9-methylcarbazole);bis(9-methylpyrido[2,3-b]indole);platinum;tetrakis(platinum(2+));bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-oxazole);bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-thiazole).

Molecular Properties

Compound Name5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]pyrido[4,3-b]indole;bis(9-methylcarbazole);bis(9-methylpyrido[2,3-b]indole);platinum;tetrakis(platinum(2+));bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-oxazole);bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-thiazole)
PubChem CID159877268
Molecular FormulaC154H111N24O7Pt5S2-3
Molecular Weight3449.27 g/mol
Exact Mass3446.68
IUPAC Name5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]pyrido[4,3-b]indole;bis(9-methylcarbazole);bis(9-methylpyrido[2,3-b]indole);platinum;tetrakis(platinum(2+));bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-oxazole);bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-thiazole)
SMILESCc1nn(-c2[c-]c(Oc3[c-]c(N4C=CN(C)[CH-]4)ccc3)ccc2)c(C)c1-n1c2ccccc2c2cnccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2cccnc21.Cn1c2ccccc2c2cccnc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(Oc2[c-]c(-n3cccn3)ccc2)cccc1-c1ncco1.[c-]1c(Oc2[c-]c(-n3cccn3)ccc2)cccc1-c1ncco1.[c-]1c(Oc2[c-]c(-n3cccn3)ccc2)cccc1-c1nccs1.[c-]1c(Oc2[c-]c(-n3cccn3)ccc2)cccc1-c1nccs1
InChIInChI=1S/C32H25N6O.2C18H11N3O2.2C18H11N3OS.2C13H11N.2C12H10N2.5Pt/c1-22-32(37-30-13-5-4-12-28(30)29-20-33-15-14-31(29)37)23(2)38(34-22)25-9-7-11-27(19-25)39-26-10-6-8-24(18-26)36-17-16-35(3)21-36;2*1-4-14(18-19-9-11-22-18)12-16(6-1)23-17-7-2-5-15(13-17)21-10-3-8-20-21;2*1-4-14(18-19-9-11-23-18)12-16(6-1)22-17-7-2-5-15(13-17)21-10-3-8-20-21;2*1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2*1-14-11-7-3-2-5-9(11)10-6-4-8-13-12(10)14;;;;;/h4-17,20-21H,1-3H3;4*1-11H;2*2-9H,1H3;2*2-8H,1H3;;;;;/q-3;4*-2;;;;;;4*+2
InChIKeyPVBOGSRIPUDPML-UHFFFAOYSA-N
XLogP35.44
TPSA282.89 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds21
Heavy Atoms192
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003449.27
LogP ≤ 535.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]pyrido[4,3-b]indole;bis(9-methylcarbazole);bis(9-methylpyrido[2,3-b]indole);platinum;tetrakis(platinum(2+));bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-oxazole);bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-thiazole) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]pyrido[4,3-b]indole;bis(9-methylcarbazole);bis(9-methylpyrido[2,3-b]indole);platinum;tetrakis(platinum(2+));bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-oxazole);bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-thiazole)?
The IUPAC name of 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]pyrido[4,3-b]indole;bis(9-methylcarbazole);bis(9-methylpyrido[2,3-b]indole);platinum;tetrakis(platinum(2+));bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-oxazole);bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-thiazole) (CID 159877268) is 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]pyrido[4,3-b]indole;bis(9-methylcarbazole);bis(9-methylpyrido[2,3-b]indole);platinum;tetrakis(platinum(2+));bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-oxazole);bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-thiazole).
What is the SMILES notation for 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]pyrido[4,3-b]indole;bis(9-methylcarbazole);bis(9-methylpyrido[2,3-b]indole);platinum;tetrakis(platinum(2+));bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-oxazole);bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-thiazole)?
The canonical SMILES for 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]pyrido[4,3-b]indole;bis(9-methylcarbazole);bis(9-methylpyrido[2,3-b]indole);platinum;tetrakis(platinum(2+));bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-oxazole);bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-thiazole) is Cc1nn(-c2[c-]c(Oc3[c-]c(N4C=CN(C)[CH-]4)ccc3)ccc2)c(C)c1-n1c2ccccc2c2cnccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2cccnc21.Cn1c2ccccc2c2cccnc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(Oc2[c-]c(-n3cccn3)ccc2)cccc1-c1ncco1.[c-]1c(Oc2[c-]c(-n3cccn3)ccc2)cccc1-c1ncco1.[c-]1c(Oc2[c-]c(-n3cccn3)ccc2)cccc1-c1nccs1.[c-]1c(Oc2[c-]c(-n3cccn3)ccc2)cccc1-c1nccs1.
What is the InChIKey of 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]pyrido[4,3-b]indole;bis(9-methylcarbazole);bis(9-methylpyrido[2,3-b]indole);platinum;tetrakis(platinum(2+));bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-oxazole);bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-thiazole)?
The InChIKey is PVBOGSRIPUDPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N6O.2C18H11N3O2.2C18H11N3OS.2C13H11N.2C12H10N2.5Pt/c1-22-32(37-30-13-5-4-12-28(30)29-20-33-15-14-31(29)37)23(2)38(34-22)25-9-7-11-27(19-25)39-26-10-6-8-24(18-26)36-17-16-35(3)21-36;2*1-4-14(18-19-9-11-22-18)12-16(6-1)23-17-7-2-5-15(13-17)21-10-3-8-20-21;2*1-4-14(18-19-9-11-23-18)12-16(6-1)22-17-7-2-5-15(13-17)21-10-3-8-20-21;2*1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2*1-14-11-7-3-2-5-9(11)10-6-4-8-13-12(10)14;;;;;/h4-17,20-21H,1-3H3;4*1-11H;2*2-9H,1H3;2*2-8H,1H3;;;;;/q-3;4*-2;;;;;;4*+2.
What are the key properties of 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]pyrido[4,3-b]indole;bis(9-methylcarbazole);bis(9-methylpyrido[2,3-b]indole);platinum;tetrakis(platinum(2+));bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-oxazole);bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-thiazole)?
5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]pyrido[4,3-b]indole;bis(9-methylcarbazole);bis(9-methylpyrido[2,3-b]indole);platinum;tetrakis(platinum(2+));bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-oxazole);bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-thiazole) has a molecular weight of 3449.27 g/mol, XLogP of 35.44, 21 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]pyrido[4,3-b]indole;bis(9-methylcarbazole);bis(9-methylpyrido[2,3-b]indole);platinum;tetrakis(platinum(2+));bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-oxazole);bis(2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-thiazole) is sourced from PubChem (CID 159877268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).