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

C33H18N4OPtS — CID 153285556

IUPACplatinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-5-yl]-1,3-oxazole
SMILES[Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cc(-c5ncco5)ccc4s3)ccc2c2ccccc21
InChIInChI=1S/C33H18N4OS.Pt/c1-2-10-29-25(8-1)26-13-11-23(33-36-28-19-22(12-14-31(28)39-33)32-35-16-17-38-32)20-30(26)37(29)24-7-5-6-21(18-24)27-9-3-4-15-34-27;/h1-17,19H;/q-2;+2
InChIKeyAOGPPFQQAQFZQN-UHFFFAOYSA-N
MW713.68 g/mol
LogP8.38
Rot. Bonds4

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

platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-5-yl]-1,3-oxazole (PubChem CID 153285556) has the molecular formula C33H18N4OPtS and a molecular weight of 713.68 g/mol. Its IUPAC name is platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-5-yl]-1,3-oxazole.

Molecular Properties

Compound Nameplatinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-5-yl]-1,3-oxazole
PubChem CID153285556
Molecular FormulaC33H18N4OPtS
Molecular Weight713.68 g/mol
Exact Mass713.08
IUPAC Nameplatinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-5-yl]-1,3-oxazole
SMILES[Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cc(-c5ncco5)ccc4s3)ccc2c2ccccc21
InChIInChI=1S/C33H18N4OS.Pt/c1-2-10-29-25(8-1)26-13-11-23(33-36-28-19-22(12-14-31(28)39-33)32-35-16-17-38-32)20-30(26)37(29)24-7-5-6-21(18-24)27-9-3-4-15-34-27;/h1-17,19H;/q-2;+2
InChIKeyAOGPPFQQAQFZQN-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

6-(1,3-benzothiazol-5-yl)-N-methyl-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide
CID 60202540
6-(1,3-benzothiazol-5-yl)-2-(1,3-oxazol-2-yl)-N-pyridin-3-ylquinoline-4-carboxamide
CID 60202551
2-(1,3-Benzothiazol-5-yl)-5-phenyl-1,3-oxazole
CID 24961143
1-Cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-thiazol-5-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-(4-pyridin-3-yl-1,3-oxazol-2-yl)indol-2-one
CID 118526049
1-Cyclopropyl-3,3-dimethyl-6-[4-(2-methyl-4-pyridinyl)-1,3-oxazol-2-yl]indol-2-one;1,3,3-trimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-thiazol-5-yl]indol-2-one
CID 118526094
6-(1,3-Benzothiazol-5-ylmethyl)-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide
CID 123456240
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
2-[2-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-4-yl]-1,3-oxazole;platinum(2+)
CID 153285061
2-[2-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-3-yl]-1,3-oxazole;platinum(2+)
CID 153285113
2-[7-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-1-yl]-1,3-oxazole;platinum(2+)
CID 153285143
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

Frequently Asked Questions

What is the IUPAC name of platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-5-yl]-1,3-oxazole?
The IUPAC name of platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-5-yl]-1,3-oxazole (CID 153285556) is platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-5-yl]-1,3-oxazole.
What is the SMILES notation for platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-5-yl]-1,3-oxazole?
The canonical SMILES for platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-5-yl]-1,3-oxazole is [Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cc(-c5ncco5)ccc4s3)ccc2c2ccccc21.
What is the InChIKey of platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-5-yl]-1,3-oxazole?
The InChIKey is AOGPPFQQAQFZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18N4OS.Pt/c1-2-10-29-25(8-1)26-13-11-23(33-36-28-19-22(12-14-31(28)39-33)32-35-16-17-38-32)20-30(26)37(29)24-7-5-6-21(18-24)27-9-3-4-15-34-27;/h1-17,19H;/q-2;+2.
What are the key properties of platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-5-yl]-1,3-oxazole?
platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-5-yl]-1,3-oxazole 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-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-5-yl]-1,3-oxazole is sourced from PubChem (CID 153285556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).