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

C38H21N3O2PtS — CID 153285320

IUPAC2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)
SMILES[Pt+2].[c-]1c(-c2ccccn2)ccc(-c2ccoc2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ccoc3)ccc21
InChIInChI=1S/C38H21N3O2S.Pt/c1-2-7-37-33(6-1)40-38(44-37)26-9-12-30-31-19-24(27-14-17-42-22-27)10-13-34(31)41(36(30)21-26)35-20-25(32-5-3-4-16-39-32)8-11-29(35)28-15-18-43-23-28;/h1-19,22-23H;/q-2;+2
InChIKeyZMKAJCUOZCBFCD-UHFFFAOYSA-N
MW778.75 g/mol
LogP10.24
Rot. Bonds5

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

2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) (PubChem CID 153285320) has the molecular formula C38H21N3O2PtS and a molecular weight of 778.75 g/mol. Its IUPAC name is 2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+).

Molecular Properties

Compound Name2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)
PubChem CID153285320
Molecular FormulaC38H21N3O2PtS
Molecular Weight778.75 g/mol
Exact Mass778.10
IUPAC Name2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)
SMILES[Pt+2].[c-]1c(-c2ccccn2)ccc(-c2ccoc2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ccoc3)ccc21
InChIInChI=1S/C38H21N3O2S.Pt/c1-2-7-37-33(6-1)40-38(44-37)26-9-12-30-31-19-24(27-14-17-42-22-27)10-13-34(31)41(36(30)21-26)35-20-25(32-5-3-4-16-39-32)8-11-29(35)28-15-18-43-23-28;/h1-19,22-23H;/q-2;+2
InChIKeyZMKAJCUOZCBFCD-UHFFFAOYSA-N
XLogP10.24
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.75
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

9-Phenyl-3-(2-pyridin-2-ylphenyl)-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
CID 58059180
9-[3-(8-Dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole
CID 58501544
5-[5-[5-[9-Ethyl-6-(4-hexoxyphenyl)carbazol-3-yl]-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde
CID 59403659
5-[5-[5-[5-[9-Ethyl-6-(4-hexoxyphenyl)carbazol-3-yl]-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde
CID 88912206
8-(3-Dibenzofuran-2-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine
CID 89850154
6-(3-Dibenzofuran-2-ylcarbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine
CID 89850155
6-[3-(8-Dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine
CID 89850184
6-[3-(5-Dibenzofuran-2-ylthiophen-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine
CID 89850191
8-[3-(5-Dibenzofuran-2-ylpentyl)carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine
CID 89850195
8-Dibenzofuran-2-yl-5-[3-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole
CID 90251052
2-[2-(3-Dibenzofuran-2-ylcarbazol-9-yl)phenyl]-1,3-benzothiazole
CID 117683625
2-[4-[3,6-Di(dibenzofuran-2-yl)carbazol-9-yl]phenyl]-1,3-benzothiazole
CID 117683631

Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?
The IUPAC name of 2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) (CID 153285320) is 2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+).
What is the SMILES notation for 2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?
The canonical SMILES for 2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) is [Pt+2].[c-]1c(-c2ccccn2)ccc(-c2ccoc2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ccoc3)ccc21.
What is the InChIKey of 2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?
The InChIKey is ZMKAJCUOZCBFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N3O2S.Pt/c1-2-7-37-33(6-1)40-38(44-37)26-9-12-30-31-19-24(27-14-17-42-22-27)10-13-34(31)41(36(30)21-26)35-20-25(32-5-3-4-16-39-32)8-11-29(35)28-15-18-43-23-28;/h1-19,22-23H;/q-2;+2.
What are the key properties of 2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?
2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) has a molecular weight of 778.75 g/mol, XLogP of 10.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) is sourced from PubChem (CID 153285320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).