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

C34H19N3OPtS — CID 153285649

IUPAC7-(furan-3-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)
SMILES[Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cccc(-c5ccoc5)c4s3)ccc2c2ccccc21
InChIInChI=1S/C34H19N3OS.Pt/c1-2-13-31-27(9-1)28-15-14-23(34-36-30-12-6-10-26(33(30)39-34)24-16-18-38-21-24)20-32(28)37(31)25-8-5-7-22(19-25)29-11-3-4-17-35-29;/h1-18,21H;/q-2;+2
InChIKeyVKRPMGDIUVHHAU-UHFFFAOYSA-N
MW712.69 g/mol
LogP8.98
Rot. Bonds4

About 7-(furan-3-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)

7-(furan-3-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) (PubChem CID 153285649) has the molecular formula C34H19N3OPtS and a molecular weight of 712.69 g/mol. Its IUPAC name is 7-(furan-3-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+).

Molecular Properties

Compound Name7-(furan-3-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)
PubChem CID153285649
Molecular FormulaC34H19N3OPtS
Molecular Weight712.69 g/mol
Exact Mass712.09
IUPAC Name7-(furan-3-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)
SMILES[Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cccc(-c5ccoc5)c4s3)ccc2c2ccccc21
InChIInChI=1S/C34H19N3OS.Pt/c1-2-13-31-27(9-1)28-15-14-23(34-36-30-12-6-10-26(33(30)39-34)24-16-18-38-21-24)20-32(28)37(31)25-8-5-7-22(19-25)29-11-3-4-17-35-29;/h1-18,21H;/q-2;+2
InChIKeyVKRPMGDIUVHHAU-UHFFFAOYSA-N
XLogP8.98
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.69
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-(furan-3-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) with MolForge

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Related Compounds

6-[3-(9-Dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine
CID 89850224
4-[3-[3-(9-Dibenzofuran-2-ylcarbazol-3-yl)oxycarbazol-9-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 89850236
8-[3-(9-Dibenzofuran-2-ylcarbazol-3-yl)sulfanylcarbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine
CID 89850249
9-([1]Benzothiolo[2,3-b]furan-7-yl)-3-carbazol-9-ylcarbazole
CID 126749665
(Z)-N-ethenyl-1-[6-[16-(6-pyridin-2-yl-2-pyridinyl)-11-oxa-7,15-dithia-5,17-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),5,9,12,14(18),16-octaen-6-yl]-2-pyridinyl]but-2-en-1-imine
CID 138741305
benzene;2-(4-dibenzofuran-4-ylphenyl)-7-[(2E,4E)-5-(2,6-diphenyl-3-pyridinyl)hepta-2,4,6-trien-2-yl]-4-[4-(2-phenyl-3-pyridinyl)phenyl]-1,3-benzothiazole
CID 144624127
2-[7-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-3-yl]-1,3-oxazole;platinum(2+)
CID 153285153
platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-7-yl]-1,3-oxazole
CID 153285230
2-[7-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-2-yl]-1,3-oxazole;platinum(2+)
CID 153285248
2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-2-pyridinyl]-1,3-oxazole;platinum(2+)
CID 153285274
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
2-[7-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-4-yl]-1,3-oxazole;platinum(2+)
CID 153285346

Frequently Asked Questions

What is the IUPAC name of 7-(furan-3-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?
The IUPAC name of 7-(furan-3-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) (CID 153285649) is 7-(furan-3-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+).
What is the SMILES notation for 7-(furan-3-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?
The canonical SMILES for 7-(furan-3-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) is [Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cccc(-c5ccoc5)c4s3)ccc2c2ccccc21.
What is the InChIKey of 7-(furan-3-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?
The InChIKey is VKRPMGDIUVHHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N3OS.Pt/c1-2-13-31-27(9-1)28-15-14-23(34-36-30-12-6-10-26(33(30)39-34)24-16-18-38-21-24)20-32(28)37(31)25-8-5-7-22(19-25)29-11-3-4-17-35-29;/h1-18,21H;/q-2;+2.
What are the key properties of 7-(furan-3-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)?
7-(furan-3-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) has a molecular weight of 712.69 g/mol, XLogP of 8.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-3-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+) is sourced from PubChem (CID 153285649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).