4-[4-[3-tert-butyl-5-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-7-[2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]-2,3-dimethyl-1-benzofuran-5-ol;platinum

C51H53N2O3PtS- — CID 176584120

IUPAC4-[4-[3-tert-butyl-5-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-7-[2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]-2,3-dimethyl-1-benzofuran-5-ol;platinum
SMILESCc1oc2ccc(O)c(-c3nc4c(-c5[c-]c(-c6nccc7cc(CC(C)(C)C)sc67)cc(C(C)(C)C)c5)ccc(-c5c(C(C)C)cccc5C(C)C)c4o3)c2c1C.[Pt]
InChIInChI=1S/C51H53N2O3S.Pt/c1-27(2)36-14-13-15-37(28(3)4)43(36)39-17-16-38(46-47(39)56-49(53-46)44-40(54)18-19-41-42(44)29(5)30(6)55-41)32-22-33(24-34(23-32)51(10,11)12)45-48-31(20-21-52-45)25-35(57-48)26-50(7,8)9;/h13-21,23-25,27-28,54H,26H2,1-12H3;/q-1;
InChIKeyBPIIEWGNBICAEW-UHFFFAOYSA-N
MW969.14 g/mol
LogP15.10
Rot. Bonds7

About 4-[4-[3-tert-butyl-5-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-7-[2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]-2,3-dimethyl-1-benzofuran-5-ol;platinum

4-[4-[3-tert-butyl-5-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-7-[2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]-2,3-dimethyl-1-benzofuran-5-ol;platinum (PubChem CID 176584120) has the molecular formula C51H53N2O3PtS- and a molecular weight of 969.14 g/mol. Its IUPAC name is 4-[4-[3-tert-butyl-5-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-7-[2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]-2,3-dimethyl-1-benzofuran-5-ol;platinum.

Molecular Properties

Compound Name4-[4-[3-tert-butyl-5-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-7-[2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]-2,3-dimethyl-1-benzofuran-5-ol;platinum
PubChem CID176584120
Molecular FormulaC51H53N2O3PtS-
Molecular Weight969.14 g/mol
Exact Mass968.34
IUPAC Name4-[4-[3-tert-butyl-5-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-7-[2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]-2,3-dimethyl-1-benzofuran-5-ol;platinum
SMILESCc1oc2ccc(O)c(-c3nc4c(-c5[c-]c(-c6nccc7cc(CC(C)(C)C)sc67)cc(C(C)(C)C)c5)ccc(-c5c(C(C)C)cccc5C(C)C)c4o3)c2c1C.[Pt]
InChIInChI=1S/C51H53N2O3S.Pt/c1-27(2)36-14-13-15-37(28(3)4)43(36)39-17-16-38(46-47(39)56-49(53-46)44-40(54)18-19-41-42(44)29(5)30(6)55-41)32-22-33(24-34(23-32)51(10,11)12)45-48-31(20-21-52-45)25-35(57-48)26-50(7,8)9;/h13-21,23-25,27-28,54H,26H2,1-12H3;/q-1;
InChIKeyBPIIEWGNBICAEW-UHFFFAOYSA-N
XLogP15.10
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.14
LogP ≤ 515.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-[3-tert-butyl-5-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-7-[2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]-2,3-dimethyl-1-benzofuran-5-ol;platinum with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-7-isoquinolin-1-yl-1,3-benzoxazol-4-ol
CID 140968610
CID 164771996
CID 164771996
CID 164772027
CID 164772027
2,4-ditert-butyl-6-[4-[8-(4-phenyl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 164772054
CID 164772114
CID 164772114
2,4-ditert-butyl-6-[4-[8-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 164772136
2,4-ditert-butyl-6-[4-[2-(4-phenyl-2-pyridinyl)-3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 164772158
2,4-ditert-butyl-6-[4-[8-[4-(4,4-dimethylcyclohexyl)-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 164772165
1-Tert-butyl-3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-2-ol;platinum
CID 171468296
4-Tert-butyl-2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-3-ol;platinum
CID 171468391
2-Tert-butyl-4-[4-[3-tert-butyl-5-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-3-ol;platinum
CID 171468431
4-Tert-butyl-2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-1-ol;platinum
CID 171468475

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-tert-butyl-5-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-7-[2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]-2,3-dimethyl-1-benzofuran-5-ol;platinum?
The IUPAC name of 4-[4-[3-tert-butyl-5-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-7-[2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]-2,3-dimethyl-1-benzofuran-5-ol;platinum (CID 176584120) is 4-[4-[3-tert-butyl-5-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-7-[2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]-2,3-dimethyl-1-benzofuran-5-ol;platinum.
What is the SMILES notation for 4-[4-[3-tert-butyl-5-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-7-[2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]-2,3-dimethyl-1-benzofuran-5-ol;platinum?
The canonical SMILES for 4-[4-[3-tert-butyl-5-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-7-[2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]-2,3-dimethyl-1-benzofuran-5-ol;platinum is Cc1oc2ccc(O)c(-c3nc4c(-c5[c-]c(-c6nccc7cc(CC(C)(C)C)sc67)cc(C(C)(C)C)c5)ccc(-c5c(C(C)C)cccc5C(C)C)c4o3)c2c1C.[Pt].
What is the InChIKey of 4-[4-[3-tert-butyl-5-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-7-[2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]-2,3-dimethyl-1-benzofuran-5-ol;platinum?
The InChIKey is BPIIEWGNBICAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H53N2O3S.Pt/c1-27(2)36-14-13-15-37(28(3)4)43(36)39-17-16-38(46-47(39)56-49(53-46)44-40(54)18-19-41-42(44)29(5)30(6)55-41)32-22-33(24-34(23-32)51(10,11)12)45-48-31(20-21-52-45)25-35(57-48)26-50(7,8)9;/h13-21,23-25,27-28,54H,26H2,1-12H3;/q-1;.
What are the key properties of 4-[4-[3-tert-butyl-5-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-7-[2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]-2,3-dimethyl-1-benzofuran-5-ol;platinum?
4-[4-[3-tert-butyl-5-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-7-[2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]-2,3-dimethyl-1-benzofuran-5-ol;platinum has a molecular weight of 969.14 g/mol, XLogP of 15.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-tert-butyl-5-[2-(2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-7-[2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]-2,3-dimethyl-1-benzofuran-5-ol;platinum is sourced from PubChem (CID 176584120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).