2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-ide;2-(1-methyl-4-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+))

C105H66N12Pt3S3 — CID 157291608

IUPAC2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-ide;2-(1-methyl-4-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+))
SMILESCn1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(-c3ccccn3)cc(-c3ccsc3)c2)nc2ccccc21.Cn1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(-c3ccccn3)ccc2)nc2c(-c3ccsc3)cccc21.Cn1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(-c3ccccn3)ccc2-c2ccsc2)nc2ccccc21.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/3C35H22N4S.3Pt/c1-38-32-12-5-3-10-30(32)37-35(38)24-14-16-28-27-8-2-4-11-31(27)39(34(28)21-24)33-20-23(29-9-6-7-18-36-29)13-15-26(33)25-17-19-40-22-25;1-38-33-12-5-3-10-31(33)37-35(38)23-13-14-29-28-8-2-4-11-32(28)39(34(29)21-23)27-19-25(24-15-17-40-22-24)18-26(20-27)30-9-6-7-16-36-30;1-38-32-14-7-11-27(25-17-19-40-22-25)34(32)37-35(38)24-15-16-29-28-10-2-3-13-31(28)39(33(29)21-24)26-9-6-8-23(20-26)30-12-4-5-18-36-30;;;/h3*2-19,22H,1H3;;;/q3*-2;3*+2
InChIKeyQBKJJHTZOUZMDP-UHFFFAOYSA-N
MW2177.20 g/mol
LogP26.18
Rot. Bonds12

About 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-ide;2-(1-methyl-4-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+))

2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-ide;2-(1-methyl-4-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+)) (PubChem CID 157291608) has the molecular formula C105H66N12Pt3S3 and a molecular weight of 2177.20 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-ide;2-(1-methyl-4-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+)).

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-ide;2-(1-methyl-4-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+))
PubChem CID157291608
Molecular FormulaC105H66N12Pt3S3
Molecular Weight2177.20 g/mol
Exact Mass2175.36
IUPAC Name2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-ide;2-(1-methyl-4-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+))
SMILESCn1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(-c3ccccn3)cc(-c3ccsc3)c2)nc2ccccc21.Cn1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(-c3ccccn3)ccc2)nc2c(-c3ccsc3)cccc21.Cn1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(-c3ccccn3)ccc2-c2ccsc2)nc2ccccc21.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/3C35H22N4S.3Pt/c1-38-32-12-5-3-10-30(32)37-35(38)24-14-16-28-27-8-2-4-11-31(27)39(34(28)21-24)33-20-23(29-9-6-7-18-36-29)13-15-26(33)25-17-19-40-22-25;1-38-33-12-5-3-10-31(33)37-35(38)23-13-14-29-28-8-2-4-11-32(28)39(34(29)21-23)27-19-25(24-15-17-40-22-24)18-26(20-27)30-9-6-7-16-36-30;1-38-32-14-7-11-27(25-17-19-40-22-25)34(32)37-35(38)24-15-16-29-28-10-2-3-13-31(28)39(33(29)21-24)26-9-6-8-23(20-26)30-12-4-5-18-36-30;;;/h3*2-19,22H,1H3;;;/q3*-2;3*+2
InChIKeyQBKJJHTZOUZMDP-UHFFFAOYSA-N
XLogP26.18
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms123
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002177.20
LogP ≤ 526.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-ide;2-(1-methyl-4-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-ide;2-(1-methyl-4-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+))?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-ide;2-(1-methyl-4-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+)) (CID 157291608) is 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-ide;2-(1-methyl-4-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+)).
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-ide;2-(1-methyl-4-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+))?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-ide;2-(1-methyl-4-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+)) is Cn1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(-c3ccccn3)cc(-c3ccsc3)c2)nc2ccccc21.Cn1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(-c3ccccn3)ccc2)nc2c(-c3ccsc3)cccc21.Cn1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(-c3ccccn3)ccc2-c2ccsc2)nc2ccccc21.[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-ide;2-(1-methyl-4-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+))?
The InChIKey is QBKJJHTZOUZMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C35H22N4S.3Pt/c1-38-32-12-5-3-10-30(32)37-35(38)24-14-16-28-27-8-2-4-11-31(27)39(34(28)21-24)33-20-23(29-9-6-7-18-36-29)13-15-26(33)25-17-19-40-22-25;1-38-33-12-5-3-10-31(33)37-35(38)23-13-14-29-28-8-2-4-11-32(28)39(34(29)21-23)27-19-25(24-15-17-40-22-24)18-26(20-27)30-9-6-7-16-36-30;1-38-32-14-7-11-27(25-17-19-40-22-25)34(32)37-35(38)24-15-16-29-28-10-2-3-13-31(28)39(33(29)21-24)26-9-6-8-23(20-26)30-12-4-5-18-36-30;;;/h3*2-19,22H,1H3;;;/q3*-2;3*+2.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-ide;2-(1-methyl-4-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+))?
2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-ide;2-(1-methyl-4-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+)) has a molecular weight of 2177.20 g/mol, XLogP of 26.18, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-ide;2-(1-methyl-4-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+)) is sourced from PubChem (CID 157291608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).