tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-4-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole

C136H76N12Pt4S8 — CID 157230377

IUPACtetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-4-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole
SMILES[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cc(-c2ccsc2)cc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21.[c-]1c(-c2ccccn2)ccc(-c2ccsc2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4c(-c5ccsc5)cccc4s3)ccc2c2ccccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cc(-c5ccsc5)ccc4s3)ccc2c2ccccc21
InChIInChI=1S/4C34H19N3S2.4Pt/c1-3-10-30-26(7-1)27-15-13-23(34-36-29-9-2-4-11-33(29)39-34)20-32(27)37(30)31-19-22(28-8-5-6-17-35-28)12-14-25(31)24-16-18-38-21-24;1-3-10-31-27(7-1)28-13-12-22(34-36-30-9-2-4-11-33(30)39-34)20-32(28)37(31)26-18-24(23-14-16-38-21-23)17-25(19-26)29-8-5-6-15-35-29;1-2-12-30-27(9-1)28-15-14-23(34-36-33-26(24-16-18-38-21-24)10-6-13-32(33)39-34)20-31(28)37(30)25-8-5-7-22(19-25)29-11-3-4-17-35-29;1-2-10-31-27(8-1)28-13-11-24(34-36-30-19-22(12-14-33(30)39-34)25-15-17-38-21-25)20-32(28)37(31)26-7-5-6-23(18-26)29-9-3-4-16-35-29;;;;/h3*1-18,21H;1-17,19,21H;;;;/q4*-2;4*+2
InChIKeyGQZAWUXWXJVFIZ-UHFFFAOYSA-N
MW2915.04 g/mol
LogP37.80
Rot. Bonds16

About tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-4-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole

tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-4-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole (PubChem CID 157230377) has the molecular formula C136H76N12Pt4S8 and a molecular weight of 2915.04 g/mol. Its IUPAC name is tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-4-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Nametetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-4-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole
PubChem CID157230377
Molecular FormulaC136H76N12Pt4S8
Molecular Weight2915.04 g/mol
Exact Mass2912.27
IUPAC Nametetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-4-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole
SMILES[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cc(-c2ccsc2)cc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21.[c-]1c(-c2ccccn2)ccc(-c2ccsc2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4c(-c5ccsc5)cccc4s3)ccc2c2ccccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cc(-c5ccsc5)ccc4s3)ccc2c2ccccc21
InChIInChI=1S/4C34H19N3S2.4Pt/c1-3-10-30-26(7-1)27-15-13-23(34-36-29-9-2-4-11-33(29)39-34)20-32(27)37(30)31-19-22(28-8-5-6-17-35-28)12-14-25(31)24-16-18-38-21-24;1-3-10-31-27(7-1)28-13-12-22(34-36-30-9-2-4-11-33(30)39-34)20-32(28)37(31)26-18-24(23-14-16-38-21-23)17-25(19-26)29-8-5-6-15-35-29;1-2-12-30-27(9-1)28-15-14-23(34-36-33-26(24-16-18-38-21-24)10-6-13-32(33)39-34)20-31(28)37(30)25-8-5-7-22(19-25)29-11-3-4-17-35-29;1-2-10-31-27(8-1)28-13-11-24(34-36-30-19-22(12-14-33(30)39-34)25-15-17-38-21-25)20-32(28)37(31)26-7-5-6-23(18-26)29-9-3-4-16-35-29;;;;/h3*1-18,21H;1-17,19,21H;;;;/q4*-2;4*+2
InChIKeyGQZAWUXWXJVFIZ-UHFFFAOYSA-N
XLogP37.80
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms160
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002915.04
LogP ≤ 537.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-4-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-4-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole?
The IUPAC name of tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-4-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole (CID 157230377) is tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-4-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole.
What is the SMILES notation for tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-4-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole?
The canonical SMILES for tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-4-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole is [Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cc(-c2ccsc2)cc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21.[c-]1c(-c2ccccn2)ccc(-c2ccsc2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4c(-c5ccsc5)cccc4s3)ccc2c2ccccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cc(-c5ccsc5)ccc4s3)ccc2c2ccccc21.
What is the InChIKey of tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-4-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole?
The InChIKey is GQZAWUXWXJVFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C34H19N3S2.4Pt/c1-3-10-30-26(7-1)27-15-13-23(34-36-29-9-2-4-11-33(29)39-34)20-32(27)37(30)31-19-22(28-8-5-6-17-35-28)12-14-25(31)24-16-18-38-21-24;1-3-10-31-27(7-1)28-13-12-22(34-36-30-9-2-4-11-33(30)39-34)20-32(28)37(31)26-18-24(23-14-16-38-21-23)17-25(19-26)29-8-5-6-15-35-29;1-2-12-30-27(9-1)28-15-14-23(34-36-33-26(24-16-18-38-21-24)10-6-13-32(33)39-34)20-31(28)37(30)25-8-5-7-22(19-25)29-11-3-4-17-35-29;1-2-10-31-27(8-1)28-13-11-24(34-36-30-19-22(12-14-33(30)39-34)25-15-17-38-21-25)20-32(28)37(31)26-7-5-6-23(18-26)29-9-3-4-16-35-29;;;;/h3*1-18,21H;1-17,19,21H;;;;/q4*-2;4*+2.
What are the key properties of tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-4-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole?
tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-4-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole has a molecular weight of 2915.04 g/mol, XLogP of 37.80, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(platinum(2+));2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-4-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-5-thiophen-3-yl-1,3-benzothiazole;2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-(5-pyridin-2-yl-2-thiophen-3-ylbenzene-6-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 157230377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).