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

C76H42N6O4Pt2S2 — CID 157288482

IUPAC5-(furan-2-yl)-2-[6-(furan-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-2-yl)-2-[9-[3-(furan-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))
SMILES[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cc(-c2ccco2)cc1-n1c2[c-]c(-c3nc4ccc(-c5ccco5)cc4s3)ccc2c2ccccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cc(-c5ccco5)ccc4s3)ccc2c2cc(-c3ccco3)ccc21
InChIInChI=1S/2C38H21N3O2S.2Pt/c1-2-17-39-31(8-1)24-6-3-7-28(20-24)41-33-15-12-25(35-9-4-18-42-35)21-30(33)29-14-11-27(23-34(29)41)38-40-32-22-26(13-16-37(32)44-38)36-10-5-19-43-36;1-2-9-33-29(7-1)30-14-12-25(38-40-32-15-13-24(23-37(32)44-38)35-10-5-17-42-35)22-34(30)41(33)28-20-26(31-8-3-4-16-39-31)19-27(21-28)36-11-6-18-43-36;;/h1-19,21-22H;1-19,21,23H;;/q2*-2;2*+2
InChIKeyKQDRZEBQPCSUEZ-UHFFFAOYSA-N
MW1557.50 g/mol
LogP20.48
Rot. Bonds10

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

5-(furan-2-yl)-2-[6-(furan-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-2-yl)-2-[9-[3-(furan-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)) (PubChem CID 157288482) has the molecular formula C76H42N6O4Pt2S2 and a molecular weight of 1557.50 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-[6-(furan-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-2-yl)-2-[9-[3-(furan-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)).

Molecular Properties

Compound Name5-(furan-2-yl)-2-[6-(furan-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-2-yl)-2-[9-[3-(furan-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))
PubChem CID157288482
Molecular FormulaC76H42N6O4Pt2S2
Molecular Weight1557.50 g/mol
Exact Mass1556.20
IUPAC Name5-(furan-2-yl)-2-[6-(furan-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-2-yl)-2-[9-[3-(furan-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))
SMILES[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cc(-c2ccco2)cc1-n1c2[c-]c(-c3nc4ccc(-c5ccco5)cc4s3)ccc2c2ccccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cc(-c5ccco5)ccc4s3)ccc2c2cc(-c3ccco3)ccc21
InChIInChI=1S/2C38H21N3O2S.2Pt/c1-2-17-39-31(8-1)24-6-3-7-28(20-24)41-33-15-12-25(35-9-4-18-42-35)21-30(33)29-14-11-27(23-34(29)41)38-40-32-22-26(13-16-37(32)44-38)36-10-5-19-43-36;1-2-9-33-29(7-1)30-14-12-25(38-40-32-15-13-24(23-37(32)44-38)35-10-5-17-42-35)22-34(30)41(33)28-20-26(31-8-3-4-16-39-31)19-27(21-28)36-11-6-18-43-36;;/h1-19,21-22H;1-19,21,23H;;/q2*-2;2*+2
InChIKeyKQDRZEBQPCSUEZ-UHFFFAOYSA-N
XLogP20.48
TPSA113.98 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001557.50
LogP ≤ 520.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-[6-(furan-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-2-yl)-2-[9-[3-(furan-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))?
The IUPAC name of 5-(furan-2-yl)-2-[6-(furan-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-2-yl)-2-[9-[3-(furan-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)) (CID 157288482) is 5-(furan-2-yl)-2-[6-(furan-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-2-yl)-2-[9-[3-(furan-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)).
What is the SMILES notation for 5-(furan-2-yl)-2-[6-(furan-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-2-yl)-2-[9-[3-(furan-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))?
The canonical SMILES for 5-(furan-2-yl)-2-[6-(furan-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-2-yl)-2-[9-[3-(furan-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)) is [Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cc(-c2ccco2)cc1-n1c2[c-]c(-c3nc4ccc(-c5ccco5)cc4s3)ccc2c2ccccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cc(-c5ccco5)ccc4s3)ccc2c2cc(-c3ccco3)ccc21.
What is the InChIKey of 5-(furan-2-yl)-2-[6-(furan-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-2-yl)-2-[9-[3-(furan-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))?
The InChIKey is KQDRZEBQPCSUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H21N3O2S.2Pt/c1-2-17-39-31(8-1)24-6-3-7-28(20-24)41-33-15-12-25(35-9-4-18-42-35)21-30(33)29-14-11-27(23-34(29)41)38-40-32-22-26(13-16-37(32)44-38)36-10-5-19-43-36;1-2-9-33-29(7-1)30-14-12-25(38-40-32-15-13-24(23-37(32)44-38)35-10-5-17-42-35)22-34(30)41(33)28-20-26(31-8-3-4-16-39-31)19-27(21-28)36-11-6-18-43-36;;/h1-19,21-22H;1-19,21,23H;;/q2*-2;2*+2.
What are the key properties of 5-(furan-2-yl)-2-[6-(furan-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-2-yl)-2-[9-[3-(furan-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))?
5-(furan-2-yl)-2-[6-(furan-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-2-yl)-2-[9-[3-(furan-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)) has a molecular weight of 1557.50 g/mol, XLogP of 20.48, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-[6-(furan-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-(furan-2-yl)-2-[9-[3-(furan-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+)) is sourced from PubChem (CID 157288482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).