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

C33H18N4OPtS — CID 153285478

IUPACplatinum(2+);2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-7-(1,3-thiazol-2-yl)-1,3-benzoxazole
SMILES[Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cccc(-c5nccs5)c4o3)ccc2c2ccccc21
InChIInChI=1S/C33H18N4OS.Pt/c1-2-13-29-24(9-1)25-15-14-22(32-36-28-12-6-10-26(31(28)38-32)33-35-17-18-39-33)20-30(25)37(29)23-8-5-7-21(19-23)27-11-3-4-16-34-27;/h1-18H;/q-2;+2
InChIKeyPHPXVJNFETZKFX-UHFFFAOYSA-N
MW713.68 g/mol
LogP8.38
Rot. Bonds4

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

platinum(2+);2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-7-(1,3-thiazol-2-yl)-1,3-benzoxazole (PubChem CID 153285478) has the molecular formula C33H18N4OPtS and a molecular weight of 713.68 g/mol. Its IUPAC name is platinum(2+);2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-7-(1,3-thiazol-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Nameplatinum(2+);2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-7-(1,3-thiazol-2-yl)-1,3-benzoxazole
PubChem CID153285478
Molecular FormulaC33H18N4OPtS
Molecular Weight713.68 g/mol
Exact Mass713.08
IUPAC Nameplatinum(2+);2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-7-(1,3-thiazol-2-yl)-1,3-benzoxazole
SMILES[Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cccc(-c5nccs5)c4o3)ccc2c2ccccc21
InChIInChI=1S/C33H18N4OS.Pt/c1-2-13-29-24(9-1)25-15-14-22(32-36-28-12-6-10-26(31(28)38-32)33-35-17-18-39-33)20-30(25)37(29)23-8-5-7-21(19-23)27-11-3-4-16-34-27;/h1-18H;/q-2;+2
InChIKeyPHPXVJNFETZKFX-UHFFFAOYSA-N
XLogP8.38
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.68
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-3-(3-ethenyl-4-ethylcyclohexyl)prop-1-enyl]-7-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 146234053
2-[2-(6-Ethenyl-3-bicyclo[3.2.1]octanyl)ethyl]-7-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 146234144
2-[5-[5-[6-(1,3-Benzoxazol-2-yl)-2-pyridinyl]-3,4-diphenylthiophen-2-yl]-2-pyridinyl]-1,3-benzoxazole
CID 23432459
2-[5-[5-[6-(1,3-Benzoxazol-2-yl)-3-pyridinyl]-3,4-diphenylthiophen-2-yl]-2-pyridinyl]-1,3-benzoxazole
CID 23432476
2-(6'-(Benzo[d]thiazol-2-yl)-3,3'-bipyridin-6-yl)benzo[d]oxazole
CID 56943829
(2-Phenyl-1,3-benzoxazol-7-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840820
2-[2-[5,7-Bis(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]-1,3-thiazol-5-yl]-5,7-bis(2-methylbutan-2-yl)-1,3-benzoxazole
CID 66963533
8-[3-[9-([1]Benzothiolo[2,3-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine
CID 89850218
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
platinum(2+);2-[9-[3-pyridin-2-yl-5-(1,3-thiazol-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-6-(1,3-thiazol-2-yl)-1,3-benzoxazole
CID 142328851
platinum(2+);2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzoxazole
CID 142329581
6-Methyl-2-(2-methyl-1,3-thiazol-5-yl)-1,3-benzoxazole;5-methyl-1-(5-methylthiophen-3-yl)indole;2-methylpropane
CID 144043807

Frequently Asked Questions

What is the IUPAC name of platinum(2+);2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-7-(1,3-thiazol-2-yl)-1,3-benzoxazole?
The IUPAC name of platinum(2+);2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-7-(1,3-thiazol-2-yl)-1,3-benzoxazole (CID 153285478) is platinum(2+);2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-7-(1,3-thiazol-2-yl)-1,3-benzoxazole.
What is the SMILES notation for platinum(2+);2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-7-(1,3-thiazol-2-yl)-1,3-benzoxazole?
The canonical SMILES for platinum(2+);2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-7-(1,3-thiazol-2-yl)-1,3-benzoxazole is [Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cccc(-c5nccs5)c4o3)ccc2c2ccccc21.
What is the InChIKey of platinum(2+);2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-7-(1,3-thiazol-2-yl)-1,3-benzoxazole?
The InChIKey is PHPXVJNFETZKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18N4OS.Pt/c1-2-13-29-24(9-1)25-15-14-22(32-36-28-12-6-10-26(31(28)38-32)33-35-17-18-39-33)20-30(25)37(29)23-8-5-7-21(19-23)27-11-3-4-16-34-27;/h1-18H;/q-2;+2.
What are the key properties of platinum(2+);2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-7-(1,3-thiazol-2-yl)-1,3-benzoxazole?
platinum(2+);2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-7-(1,3-thiazol-2-yl)-1,3-benzoxazole has a molecular weight of 713.68 g/mol, XLogP of 8.38, 4 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-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-7-(1,3-thiazol-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 153285478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).