5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+)

C36H21N5PtS — CID 140730090

IUPAC5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+)
SMILES[Pt+2].[c-]1c(-n2cccn2)cccc1-n1c2[c-]c(-c3ncc(-n4c5ccccc5c5ccccc54)s3)ccc2c2ccccc21
InChIInChI=1S/C36H21N5S.Pt/c1-4-14-31-29(13-1)30-18-17-24(21-34(30)40(31)26-10-7-9-25(22-26)39-20-8-19-38-39)36-37-23-35(42-36)41-32-15-5-2-11-27(32)28-12-3-6-16-33(28)41;/h1-20,23H;/q-2;+2
InChIKeySHESVROIRSYJGB-UHFFFAOYSA-N
MW750.74 g/mol
LogP8.79
Rot. Bonds4

About 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+)

5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+) (PubChem CID 140730090) has the molecular formula C36H21N5PtS and a molecular weight of 750.74 g/mol. Its IUPAC name is 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+).

Molecular Properties

Compound Name5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+)
PubChem CID140730090
Molecular FormulaC36H21N5PtS
Molecular Weight750.74 g/mol
Exact Mass750.12
IUPAC Name5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+)
SMILES[Pt+2].[c-]1c(-n2cccn2)cccc1-n1c2[c-]c(-c3ncc(-n4c5ccccc5c5ccccc54)s3)ccc2c2ccccc21
InChIInChI=1S/C36H21N5S.Pt/c1-4-14-31-29(13-1)30-18-17-24(21-34(30)40(31)26-10-7-9-25(22-26)39-20-8-19-38-39)36-37-23-35(42-36)41-32-15-5-2-11-27(32)28-12-3-6-16-33(28)41;/h1-20,23H;/q-2;+2
InChIKeySHESVROIRSYJGB-UHFFFAOYSA-N
XLogP8.79
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.74
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+) with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+)?
The IUPAC name of 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+) (CID 140730090) is 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+).
What is the SMILES notation for 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+)?
The canonical SMILES for 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+) is [Pt+2].[c-]1c(-n2cccn2)cccc1-n1c2[c-]c(-c3ncc(-n4c5ccccc5c5ccccc54)s3)ccc2c2ccccc21.
What is the InChIKey of 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+)?
The InChIKey is SHESVROIRSYJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N5S.Pt/c1-4-14-31-29(13-1)30-18-17-24(21-34(30)40(31)26-10-7-9-25(22-26)39-20-8-19-38-39)36-37-23-35(42-36)41-32-15-5-2-11-27(32)28-12-3-6-16-33(28)41;/h1-20,23H;/q-2;+2.
What are the key properties of 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+)?
5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+) has a molecular weight of 750.74 g/mol, XLogP of 8.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+) is sourced from PubChem (CID 140730090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).