2-[6-(furan-3-yl)-9-[3-[5-(furan-3-yl)-2-pyridinyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-(furan-3-yl)-5-[5-(furan-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tris(platinum(2+))

C114H63N9O6Pt3S3 — CID 158452722

IUPAC2-[6-(furan-3-yl)-9-[3-[5-(furan-3-yl)-2-pyridinyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-(furan-3-yl)-5-[5-(furan-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tris(platinum(2+))
SMILES[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccc(-c3ccoc3)cn2)ccc(-c2ccoc2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21.[c-]1c(-c2ccc(-c3ccoc3)cn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ccoc3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccc(-c5ccoc5)cc4s3)ccc2c2cc(-c3ccoc3)ccc21
InChIInChI=1S/3C38H21N3O2S.3Pt/c1-3-7-34-30(5-1)31-13-10-25(38-40-33-6-2-4-8-37(33)44-38)20-36(31)41(34)35-19-24(9-12-29(35)28-16-18-43-23-28)32-14-11-26(21-39-32)27-15-17-42-22-27;1-2-15-39-33(6-1)26-4-3-5-30(18-26)41-35-12-9-24(28-13-16-42-22-28)19-32(35)31-10-7-27(20-36(31)41)38-40-34-11-8-25(21-37(34)44-38)29-14-17-43-23-29;1-2-7-37-34(6-1)40-38(44-37)26-8-11-31-32-19-24(28-14-16-42-22-28)10-13-35(32)41(36(31)20-26)30-5-3-4-25(18-30)33-12-9-27(21-39-33)29-15-17-43-23-29;;;/h1-18,21-23H;2*1-17,19,21-23H;;;/q3*-2;3*+2
InChIKeyKXFMUVZHPKUOFK-UHFFFAOYSA-N
MW2336.25 g/mol
LogP30.72
Rot. Bonds15

About 2-[6-(furan-3-yl)-9-[3-[5-(furan-3-yl)-2-pyridinyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-(furan-3-yl)-5-[5-(furan-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tris(platinum(2+))

2-[6-(furan-3-yl)-9-[3-[5-(furan-3-yl)-2-pyridinyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-(furan-3-yl)-5-[5-(furan-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tris(platinum(2+)) (PubChem CID 158452722) has the molecular formula C114H63N9O6Pt3S3 and a molecular weight of 2336.25 g/mol. Its IUPAC name is 2-[6-(furan-3-yl)-9-[3-[5-(furan-3-yl)-2-pyridinyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-(furan-3-yl)-5-[5-(furan-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tris(platinum(2+)).

Molecular Properties

Compound Name2-[6-(furan-3-yl)-9-[3-[5-(furan-3-yl)-2-pyridinyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-(furan-3-yl)-5-[5-(furan-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tris(platinum(2+))
PubChem CID158452722
Molecular FormulaC114H63N9O6Pt3S3
Molecular Weight2336.25 g/mol
Exact Mass2334.30
IUPAC Name2-[6-(furan-3-yl)-9-[3-[5-(furan-3-yl)-2-pyridinyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-(furan-3-yl)-5-[5-(furan-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tris(platinum(2+))
SMILES[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccc(-c3ccoc3)cn2)ccc(-c2ccoc2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21.[c-]1c(-c2ccc(-c3ccoc3)cn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ccoc3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccc(-c5ccoc5)cc4s3)ccc2c2cc(-c3ccoc3)ccc21
InChIInChI=1S/3C38H21N3O2S.3Pt/c1-3-7-34-30(5-1)31-13-10-25(38-40-33-6-2-4-8-37(33)44-38)20-36(31)41(34)35-19-24(9-12-29(35)28-16-18-43-23-28)32-14-11-26(21-39-32)27-15-17-42-22-27;1-2-15-39-33(6-1)26-4-3-5-30(18-26)41-35-12-9-24(28-13-16-42-22-28)19-32(35)31-10-7-27(20-36(31)41)38-40-34-11-8-25(21-37(34)44-38)29-14-17-43-23-29;1-2-7-37-34(6-1)40-38(44-37)26-8-11-31-32-19-24(28-14-16-42-22-28)10-13-35(32)41(36(31)20-26)30-5-3-4-25(18-30)33-12-9-27(21-39-33)29-15-17-43-23-29;;;/h1-18,21-23H;2*1-17,19,21-23H;;;/q3*-2;3*+2
InChIKeyKXFMUVZHPKUOFK-UHFFFAOYSA-N
XLogP30.72
TPSA170.97 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms135
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002336.25
LogP ≤ 530.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-[6-(furan-3-yl)-9-[3-[5-(furan-3-yl)-2-pyridinyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-(furan-3-yl)-5-[5-(furan-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tris(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-3-yl)-9-[3-[5-(furan-3-yl)-2-pyridinyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-(furan-3-yl)-5-[5-(furan-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tris(platinum(2+))?
The IUPAC name of 2-[6-(furan-3-yl)-9-[3-[5-(furan-3-yl)-2-pyridinyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-(furan-3-yl)-5-[5-(furan-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tris(platinum(2+)) (CID 158452722) is 2-[6-(furan-3-yl)-9-[3-[5-(furan-3-yl)-2-pyridinyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-(furan-3-yl)-5-[5-(furan-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tris(platinum(2+)).
What is the SMILES notation for 2-[6-(furan-3-yl)-9-[3-[5-(furan-3-yl)-2-pyridinyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-(furan-3-yl)-5-[5-(furan-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tris(platinum(2+))?
The canonical SMILES for 2-[6-(furan-3-yl)-9-[3-[5-(furan-3-yl)-2-pyridinyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-(furan-3-yl)-5-[5-(furan-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tris(platinum(2+)) is [Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccc(-c3ccoc3)cn2)ccc(-c2ccoc2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21.[c-]1c(-c2ccc(-c3ccoc3)cn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ccoc3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccc(-c5ccoc5)cc4s3)ccc2c2cc(-c3ccoc3)ccc21.
What is the InChIKey of 2-[6-(furan-3-yl)-9-[3-[5-(furan-3-yl)-2-pyridinyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-(furan-3-yl)-5-[5-(furan-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tris(platinum(2+))?
The InChIKey is KXFMUVZHPKUOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C38H21N3O2S.3Pt/c1-3-7-34-30(5-1)31-13-10-25(38-40-33-6-2-4-8-37(33)44-38)20-36(31)41(34)35-19-24(9-12-29(35)28-16-18-43-23-28)32-14-11-26(21-39-32)27-15-17-42-22-27;1-2-15-39-33(6-1)26-4-3-5-30(18-26)41-35-12-9-24(28-13-16-42-22-28)19-32(35)31-10-7-27(20-36(31)41)38-40-34-11-8-25(21-37(34)44-38)29-14-17-43-23-29;1-2-7-37-34(6-1)40-38(44-37)26-8-11-31-32-19-24(28-14-16-42-22-28)10-13-35(32)41(36(31)20-26)30-5-3-4-25(18-30)33-12-9-27(21-39-33)29-15-17-43-23-29;;;/h1-18,21-23H;2*1-17,19,21-23H;;;/q3*-2;3*+2.
What are the key properties of 2-[6-(furan-3-yl)-9-[3-[5-(furan-3-yl)-2-pyridinyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-(furan-3-yl)-5-[5-(furan-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tris(platinum(2+))?
2-[6-(furan-3-yl)-9-[3-[5-(furan-3-yl)-2-pyridinyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-(furan-3-yl)-5-[5-(furan-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tris(platinum(2+)) has a molecular weight of 2336.25 g/mol, XLogP of 30.72, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-3-yl)-9-[3-[5-(furan-3-yl)-2-pyridinyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-(furan-3-yl)-5-[5-(furan-3-yl)-2-pyridinyl]benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tris(platinum(2+)) is sourced from PubChem (CID 158452722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).