2-[2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-[2-(1-methylimidazol-2-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(1-methylimidazol-2-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;pentakis(platinum(2+));2-pyridin-2-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide

C168H110N24Pt5+2 — CID 157104259

IUPAC2-[2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-[2-(1-methylimidazol-2-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(1-methylimidazol-2-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;pentakis(platinum(2+));2-pyridin-2-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide
SMILESCC1=N[N+](c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)=C(C)C1.CC1=N[N+](c2[c-]c3c(cc2)c2ccccc2n3-c2ccc3c4ccccc4n(-c4[c-]cccc4)c3n2)=C(C)C1.Cn1ccnc1-c1[c-]c2c(cc1)c1ccccc1n2-c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.Cn1ccnc1-c1[c-]c2c(cc1)c1ccccc1n2-c1ccc2c3ccccc3n(-c3[c-]cccc3)c2n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)ccc2c3ccccc3n(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)c12
InChIInChI=1S/2C34H24N5.C34H20N4.2C33H21N5.5Pt/c1-22-19-23(2)39(36-22)25-15-17-28-26-9-3-5-11-30(26)37(32(28)21-25)24-14-16-29-27-10-4-6-12-31(27)38(33(29)20-24)34-13-7-8-18-35-34;1-22-20-23(2)39(36-22)25-16-17-28-26-12-6-9-15-31(26)38(32(28)21-25)33-19-18-29-27-13-7-8-14-30(27)37(34(29)35-33)24-10-4-3-5-11-24;1-3-12-30-25(9-1)27-17-15-23(29-11-5-7-19-35-29)21-32(27)37(30)24-16-18-28-26-10-2-4-13-31(26)38(33(28)22-24)34-14-6-8-20-36-34;1-36-19-18-35-33(36)22-13-15-26-24-8-2-4-10-28(24)37(30(26)20-22)23-14-16-27-25-9-3-5-11-29(25)38(31(27)21-23)32-12-6-7-17-34-32;1-36-20-19-34-32(36)22-15-16-26-24-11-5-8-14-29(24)38(30(26)21-22)31-18-17-27-25-12-6-7-13-28(25)37(33(27)35-31)23-9-3-2-4-10-23;;;;;/h3-18H,19H2,1-2H3;3-10,12-19H,20H2,1-2H3;1-20H;2-19H,1H3;2-9,11-20H,1H3;;;;;/q2*-1;3*-2;5*+2
InChIKeyFGPJATCQSWSGCQ-UHFFFAOYSA-N
MW3440.29 g/mol
LogP38.00
Rot. Bonds15

About 2-[2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-[2-(1-methylimidazol-2-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(1-methylimidazol-2-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;pentakis(platinum(2+));2-pyridin-2-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide

2-[2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-[2-(1-methylimidazol-2-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(1-methylimidazol-2-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;pentakis(platinum(2+));2-pyridin-2-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide (PubChem CID 157104259) has the molecular formula C168H110N24Pt5+2 and a molecular weight of 3440.29 g/mol. Its IUPAC name is 2-[2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-[2-(1-methylimidazol-2-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(1-methylimidazol-2-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;pentakis(platinum(2+));2-pyridin-2-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide.

Molecular Properties

Compound Name2-[2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-[2-(1-methylimidazol-2-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(1-methylimidazol-2-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;pentakis(platinum(2+));2-pyridin-2-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide
PubChem CID157104259
Molecular FormulaC168H110N24Pt5+2
Molecular Weight3440.29 g/mol
Exact Mass3437.76
IUPAC Name2-[2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-[2-(1-methylimidazol-2-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(1-methylimidazol-2-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;pentakis(platinum(2+));2-pyridin-2-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide
SMILESCC1=N[N+](c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)=C(C)C1.CC1=N[N+](c2[c-]c3c(cc2)c2ccccc2n3-c2ccc3c4ccccc4n(-c4[c-]cccc4)c3n2)=C(C)C1.Cn1ccnc1-c1[c-]c2c(cc1)c1ccccc1n2-c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.Cn1ccnc1-c1[c-]c2c(cc1)c1ccccc1n2-c1ccc2c3ccccc3n(-c3[c-]cccc3)c2n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)ccc2c3ccccc3n(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)c12
InChIInChI=1S/2C34H24N5.C34H20N4.2C33H21N5.5Pt/c1-22-19-23(2)39(36-22)25-15-17-28-26-9-3-5-11-30(26)37(32(28)21-25)24-14-16-29-27-10-4-6-12-31(27)38(33(29)20-24)34-13-7-8-18-35-34;1-22-20-23(2)39(36-22)25-16-17-28-26-12-6-9-15-31(26)38(32(28)21-25)33-19-18-29-27-13-7-8-14-30(27)37(34(29)35-33)24-10-4-3-5-11-24;1-3-12-30-25(9-1)27-17-15-23(29-11-5-7-19-35-29)21-32(27)37(30)24-16-18-28-26-10-2-4-13-31(26)38(33(28)22-24)34-14-6-8-20-36-34;1-36-19-18-35-33(36)22-13-15-26-24-8-2-4-10-28(24)37(30(26)20-22)23-14-16-27-25-9-3-5-11-29(25)38(31(27)21-23)32-12-6-7-17-34-32;1-36-20-19-34-32(36)22-15-16-26-24-11-5-8-14-29(24)38(30(26)21-22)31-18-17-27-25-12-6-7-13-28(25)37(33(27)35-31)23-9-3-2-4-10-23;;;;;/h3-18H,19H2,1-2H3;3-10,12-19H,20H2,1-2H3;1-20H;2-19H,1H3;2-9,11-20H,1H3;;;;;/q2*-1;3*-2;5*+2
InChIKeyFGPJATCQSWSGCQ-UHFFFAOYSA-N
XLogP38.00
TPSA193.02 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003440.29
LogP ≤ 538.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-[2-(1-methylimidazol-2-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(1-methylimidazol-2-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;pentakis(platinum(2+));2-pyridin-2-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-[2-(1-methylimidazol-2-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(1-methylimidazol-2-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;pentakis(platinum(2+));2-pyridin-2-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide?
The IUPAC name of 2-[2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-[2-(1-methylimidazol-2-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(1-methylimidazol-2-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;pentakis(platinum(2+));2-pyridin-2-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide (CID 157104259) is 2-[2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-[2-(1-methylimidazol-2-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(1-methylimidazol-2-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;pentakis(platinum(2+));2-pyridin-2-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide.
What is the SMILES notation for 2-[2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-[2-(1-methylimidazol-2-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(1-methylimidazol-2-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;pentakis(platinum(2+));2-pyridin-2-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide?
The canonical SMILES for 2-[2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-[2-(1-methylimidazol-2-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(1-methylimidazol-2-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;pentakis(platinum(2+));2-pyridin-2-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide is CC1=N[N+](c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)=C(C)C1.CC1=N[N+](c2[c-]c3c(cc2)c2ccccc2n3-c2ccc3c4ccccc4n(-c4[c-]cccc4)c3n2)=C(C)C1.Cn1ccnc1-c1[c-]c2c(cc1)c1ccccc1n2-c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.Cn1ccnc1-c1[c-]c2c(cc1)c1ccccc1n2-c1ccc2c3ccccc3n(-c3[c-]cccc3)c2n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)ccc2c3ccccc3n(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)c12.
What is the InChIKey of 2-[2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-[2-(1-methylimidazol-2-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(1-methylimidazol-2-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;pentakis(platinum(2+));2-pyridin-2-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide?
The InChIKey is FGPJATCQSWSGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H24N5.C34H20N4.2C33H21N5.5Pt/c1-22-19-23(2)39(36-22)25-15-17-28-26-9-3-5-11-30(26)37(32(28)21-25)24-14-16-29-27-10-4-6-12-31(27)38(33(29)20-24)34-13-7-8-18-35-34;1-22-20-23(2)39(36-22)25-16-17-28-26-12-6-9-15-31(26)38(32(28)21-25)33-19-18-29-27-13-7-8-14-30(27)37(34(29)35-33)24-10-4-3-5-11-24;1-3-12-30-25(9-1)27-17-15-23(29-11-5-7-19-35-29)21-32(27)37(30)24-16-18-28-26-10-2-4-13-31(26)38(33(28)22-24)34-14-6-8-20-36-34;1-36-19-18-35-33(36)22-13-15-26-24-8-2-4-10-28(24)37(30(26)20-22)23-14-16-27-25-9-3-5-11-29(25)38(31(27)21-23)32-12-6-7-17-34-32;1-36-20-19-34-32(36)22-15-16-26-24-11-5-8-14-29(24)38(30(26)21-22)31-18-17-27-25-12-6-7-13-28(25)37(33(27)35-31)23-9-3-2-4-10-23;;;;;/h3-18H,19H2,1-2H3;3-10,12-19H,20H2,1-2H3;1-20H;2-19H,1H3;2-9,11-20H,1H3;;;;;/q2*-1;3*-2;5*+2.
What are the key properties of 2-[2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-[2-(1-methylimidazol-2-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(1-methylimidazol-2-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;pentakis(platinum(2+));2-pyridin-2-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide?
2-[2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-[2-(1-methylimidazol-2-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(1-methylimidazol-2-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;pentakis(platinum(2+));2-pyridin-2-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide has a molecular weight of 3440.29 g/mol, XLogP of 38.00, 15 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-[2-(1-methylimidazol-2-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(1-methylimidazol-2-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;pentakis(platinum(2+));2-pyridin-2-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide is sourced from PubChem (CID 157104259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).