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+)

C33H18N4OPtS — CID 153285153

IUPAC2-[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+)
SMILES[Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ncco3)ccc21
InChIInChI=1S/C33H18N4OS.Pt/c1-2-10-31-28(9-1)36-33(39-31)23-11-13-25-26-19-22(32-35-16-17-38-32)12-14-29(26)37(30(25)20-23)24-7-5-6-21(18-24)27-8-3-4-15-34-27;/h1-17,19H;/q-2;+2
InChIKeyDFOLVUHJCPKYTE-UHFFFAOYSA-N
MW713.68 g/mol
LogP8.38
Rot. Bonds4

About 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+)

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+) (PubChem CID 153285153) has the molecular formula C33H18N4OPtS and a molecular weight of 713.68 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name2-[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+)
PubChem CID153285153
Molecular FormulaC33H18N4OPtS
Molecular Weight713.68 g/mol
Exact Mass713.08
IUPAC Name2-[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+)
SMILES[Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ncco3)ccc21
InChIInChI=1S/C33H18N4OS.Pt/c1-2-10-31-28(9-1)36-33(39-31)23-11-13-25-26-19-22(32-35-16-17-38-32)12-14-29(26)37(30(25)20-23)24-7-5-6-21(18-24)27-8-3-4-15-34-27;/h1-17,19H;/q-2;+2
InChIKeyDFOLVUHJCPKYTE-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'}

Analyze 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+) with MolForge

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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-[6-(1,3-Benzothiazol-2-yl)-9-[6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-3-pyridinyl]carbazol-3-yl]-1,3-benzoxazole
CID 155645298
5-[3-[3-(1,3-Benzothiazol-2-yl)-5-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-1,3-oxazole
CID 58480082
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
5-(2-Methyl-1,3-benzothiazol-6-yl)-2-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole
CID 91274792
10-[2-(Diethylamino)ethyl]-13-(1,3-oxazol-2-yl)-12-thia-10-azatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2(6),7,11(15),13-pentaen-5-one
CID 118001443
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-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

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is [Pt+2].[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ncco3)ccc21.
What is the InChIKey of 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+)?
The InChIKey is DFOLVUHJCPKYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18N4OS.Pt/c1-2-10-31-28(9-1)36-33(39-31)23-11-13-25-26-19-22(32-35-16-17-38-32)12-14-29(26)37(30(25)20-23)24-7-5-6-21(18-24)27-8-3-4-15-34-27;/h1-17,19H;/q-2;+2.
What are the key properties of 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+)?
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+) 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 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+) is sourced from PubChem (CID 153285153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).