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

C38H21N3OPtS2 — CID 142328029

IUPACplatinum(2+);2-[9-(3-pyridin-2-yl-5-thiophen-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-2-yl-1,3-benzoxazole
SMILES[Pt+2].[c-]1c(-c2ccccn2)cc(-c2cccs2)cc1-n1c2[c-]c(-c3nc4ccc(-c5cccs5)cc4o3)ccc2c2ccccc21
InChIInChI=1S/C38H21N3OS2.Pt/c1-2-9-33-29(7-1)30-14-12-25(38-40-32-15-13-24(23-35(32)42-38)36-10-5-17-43-36)22-34(30)41(33)28-20-26(31-8-3-4-16-39-31)19-27(21-28)37-11-6-18-44-37;/h1-19,21,23H;/q-2;+2
InChIKeyPMFJAHDJUHPHLA-UHFFFAOYSA-N
MW794.82 g/mol
LogP10.71
Rot. Bonds5

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

platinum(2+);2-[9-(3-pyridin-2-yl-5-thiophen-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-2-yl-1,3-benzoxazole (PubChem CID 142328029) has the molecular formula C38H21N3OPtS2 and a molecular weight of 794.82 g/mol. Its IUPAC name is platinum(2+);2-[9-(3-pyridin-2-yl-5-thiophen-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Nameplatinum(2+);2-[9-(3-pyridin-2-yl-5-thiophen-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-2-yl-1,3-benzoxazole
PubChem CID142328029
Molecular FormulaC38H21N3OPtS2
Molecular Weight794.82 g/mol
Exact Mass794.08
IUPAC Nameplatinum(2+);2-[9-(3-pyridin-2-yl-5-thiophen-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-2-yl-1,3-benzoxazole
SMILES[Pt+2].[c-]1c(-c2ccccn2)cc(-c2cccs2)cc1-n1c2[c-]c(-c3nc4ccc(-c5cccs5)cc4o3)ccc2c2ccccc21
InChIInChI=1S/C38H21N3OS2.Pt/c1-2-9-33-29(7-1)30-14-12-25(38-40-32-15-13-24(23-35(32)42-38)36-10-5-17-43-36)22-34(30)41(33)28-20-26(31-8-3-4-16-39-31)19-27(21-28)37-11-6-18-44-37;/h1-19,21,23H;/q-2;+2
InChIKeyPMFJAHDJUHPHLA-UHFFFAOYSA-N
XLogP10.71
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.82
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

6-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 156665401
2,7-Bis(4-fluoro-5-quinolin-3-ylthiophen-2-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 169314110
2,7-Bis[6-(2,3,4,5,6-pentafluorophenyl)thieno[3,2-c]pyridin-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 169314127
[2-[7-[6-(2,3,4,5,6-Pentafluorobenzoyl)thieno[3,2-c]pyridin-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-2-yl]thieno[3,2-c]pyridin-6-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 169314148
2-[3-methyl-2-(1-methylquinolin-1-ium-4-yl)-2H-1,3-benzothiazol-6-yl]-1,3-benzoxazole
CID 91291264
6-[7-(4-Tert-butylnaphthalen-2-yl)thieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole
CID 156665402
8-piperidin-4-yl-2-(thiophen-2-ylmethyl)-6H-pyrrolo[3,2-e][1,3]benzoxazole
CID 9945765
8-(1-azabicyclo[2.2.2]octan-3-yl)-2-(thiophen-2-ylmethyl)-6H-pyrrolo[3,2-e][1,3]benzoxazole
CID 10155630
2-[(2Z)-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-6-yl]-1,3-benzoxazole
CID 10210654
8-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1-benzothiophen-3-yl)-6H-pyrrolo[3,2-e][1,3]benzoxazole
CID 12018463
6-Phenyl-2-[5-(6-phenyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
CID 14993647
2-(1-benzothiophen-3-yl)-8-piperidin-4-yl-6H-pyrrolo[3,2-e][1,3]benzoxazole
CID 17953619

Frequently Asked Questions

What is the IUPAC name of platinum(2+);2-[9-(3-pyridin-2-yl-5-thiophen-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-2-yl-1,3-benzoxazole?
The IUPAC name of platinum(2+);2-[9-(3-pyridin-2-yl-5-thiophen-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-2-yl-1,3-benzoxazole (CID 142328029) is platinum(2+);2-[9-(3-pyridin-2-yl-5-thiophen-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-2-yl-1,3-benzoxazole.
What is the SMILES notation for platinum(2+);2-[9-(3-pyridin-2-yl-5-thiophen-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-2-yl-1,3-benzoxazole?
The canonical SMILES for platinum(2+);2-[9-(3-pyridin-2-yl-5-thiophen-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-2-yl-1,3-benzoxazole is [Pt+2].[c-]1c(-c2ccccn2)cc(-c2cccs2)cc1-n1c2[c-]c(-c3nc4ccc(-c5cccs5)cc4o3)ccc2c2ccccc21.
What is the InChIKey of platinum(2+);2-[9-(3-pyridin-2-yl-5-thiophen-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-2-yl-1,3-benzoxazole?
The InChIKey is PMFJAHDJUHPHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N3OS2.Pt/c1-2-9-33-29(7-1)30-14-12-25(38-40-32-15-13-24(23-35(32)42-38)36-10-5-17-43-36)22-34(30)41(33)28-20-26(31-8-3-4-16-39-31)19-27(21-28)37-11-6-18-44-37;/h1-19,21,23H;/q-2;+2.
What are the key properties of platinum(2+);2-[9-(3-pyridin-2-yl-5-thiophen-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-2-yl-1,3-benzoxazole?
platinum(2+);2-[9-(3-pyridin-2-yl-5-thiophen-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-2-yl-1,3-benzoxazole has a molecular weight of 794.82 g/mol, XLogP of 10.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);2-[9-(3-pyridin-2-yl-5-thiophen-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-2-yl-1,3-benzoxazole is sourced from PubChem (CID 142328029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).