2-(1-methyl-7-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)

C35H22N4PtS — CID 153285214

IUPAC2-(1-methyl-7-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
SMILESCn1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(-c3ccccn3)ccc2)nc2cccc(-c3ccsc3)c21.[Pt+2]
InChIInChI=1S/C35H22N4S.Pt/c1-38-34-27(25-17-19-40-22-25)11-7-13-31(34)37-35(38)24-15-16-29-28-10-2-3-14-32(28)39(33(29)21-24)26-9-6-8-23(20-26)30-12-4-5-18-36-30;/h2-19,22H,1H3;/q-2;+2
InChIKeyKSAVJWLGNUIYIX-UHFFFAOYSA-N
MW725.73 g/mol
LogP8.73
Rot. Bonds4

About 2-(1-methyl-7-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)

2-(1-methyl-7-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153285214) has the molecular formula C35H22N4PtS and a molecular weight of 725.73 g/mol. Its IUPAC name is 2-(1-methyl-7-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name2-(1-methyl-7-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
PubChem CID153285214
Molecular FormulaC35H22N4PtS
Molecular Weight725.73 g/mol
Exact Mass725.12
IUPAC Name2-(1-methyl-7-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
SMILESCn1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(-c3ccccn3)ccc2)nc2cccc(-c3ccsc3)c21.[Pt+2]
InChIInChI=1S/C35H22N4S.Pt/c1-38-34-27(25-17-19-40-22-25)11-7-13-31(34)37-35(38)24-15-16-29-28-10-2-3-14-32(28)39(33(29)21-24)26-9-6-8-23(20-26)30-12-4-5-18-36-30;/h2-19,22H,1H3;/q-2;+2
InChIKeyKSAVJWLGNUIYIX-UHFFFAOYSA-N
XLogP8.73
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.73
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-7-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 2-(1-methyl-7-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) (CID 153285214) is 2-(1-methyl-7-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 2-(1-methyl-7-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 2-(1-methyl-7-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) is Cn1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(-c3ccccn3)ccc2)nc2cccc(-c3ccsc3)c21.[Pt+2].
What is the InChIKey of 2-(1-methyl-7-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is KSAVJWLGNUIYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4S.Pt/c1-38-34-27(25-17-19-40-22-25)11-7-13-31(34)37-35(38)24-15-16-29-28-10-2-3-14-32(28)39(33(29)21-24)26-9-6-8-23(20-26)30-12-4-5-18-36-30;/h2-19,22H,1H3;/q-2;+2.
What are the key properties of 2-(1-methyl-7-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?
2-(1-methyl-7-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 725.73 g/mol, XLogP of 8.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-7-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153285214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).