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

C62H57N2O3Pt- — CID 171468391

IUPAC4-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
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1ccc(-c2[c-]c(-c3cc(-c4ccccc4)ccn3)cc(C(C)(C)C)c2)c2nc(-c3cc4c(oc5ccccc54)c(C(C)(C)C)c3O)oc12.[Pt]
InChIInChI=1S/C62H57N2O3.Pt/c1-36(2)48-32-41(39-21-15-12-16-22-39)33-49(37(3)4)54(48)47-26-25-45(42-29-43(31-44(30-42)61(5,6)7)52-34-40(27-28-63-52)38-19-13-11-14-20-38)56-59(47)67-60(64-56)51-35-50-46-23-17-18-24-53(46)66-58(50)55(57(51)65)62(8,9)10;/h11-28,30-37,65H,1-10H3;/q-1;
InChIKeyZXGAGHSGJMUAAF-UHFFFAOYSA-N
MW1073.23 g/mol
LogP17.47
Rot. Bonds8

About 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

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 (PubChem CID 171468391) has the molecular formula C62H57N2O3Pt- and a molecular weight of 1073.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID171468391
Molecular FormulaC62H57N2O3Pt-
Molecular Weight1073.23 g/mol
Exact Mass1072.40
IUPAC Name4-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
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1ccc(-c2[c-]c(-c3cc(-c4ccccc4)ccn3)cc(C(C)(C)C)c2)c2nc(-c3cc4c(oc5ccccc54)c(C(C)(C)C)c3O)oc12.[Pt]
InChIInChI=1S/C62H57N2O3.Pt/c1-36(2)48-32-41(39-21-15-12-16-22-39)33-49(37(3)4)54(48)47-26-25-45(42-29-43(31-44(30-42)61(5,6)7)52-34-40(27-28-63-52)38-19-13-11-14-20-38)56-59(47)67-60(64-56)51-35-50-46-23-17-18-24-53(46)66-58(50)55(57(51)65)62(8,9)10;/h11-28,30-37,65H,1-10H3;/q-1;
InChIKeyZXGAGHSGJMUAAF-UHFFFAOYSA-N
XLogP17.47
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001073.23
LogP ≤ 517.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

US12187713, Example 194
CID 155038470
US12187713, Example 264
CID 156788201
US12187713, Example 274
CID 156788255
US12187713, Example 171
CID 165008211
(2S)-1-[[6-(difluoromethoxy)-2-[2-methyl-3-[2-methyl-3-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 156788252
8-Methyl-9-(1-methylpyridin-1-ium-2-yl)-2-(trifluoromethyl)-[1]benzofuro[2,3-e][1,3]benzoxazole
CID 172126802
9-(4-Tert-butyl-1-methylpyridin-1-ium-2-yl)-2-fluoro-8-methyl-[1]benzofuro[2,3-e][1,3]benzoxazole
CID 172126880
1-[4-[4-Methyl-3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]naphthalen-2-ol;platinum
CID 177110120
2-[4-[3-(6-Tert-butylquinolin-8-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 177110173
4-Tert-butyl-2-[4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 177110215
2-[4-[3-Tert-butyl-5-[6-[difluoro(phenyl)methyl]quinolin-8-yl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 177110548
4-Tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 177111016

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1ccc(-c2[c-]c(-c3cc(-c4ccccc4)ccn3)cc(C(C)(C)C)c2)c2nc(-c3cc4c(oc5ccccc54)c(C(C)(C)C)c3O)oc12.[Pt].
What is the InChIKey of 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?
The InChIKey is ZXGAGHSGJMUAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H57N2O3.Pt/c1-36(2)48-32-41(39-21-15-12-16-22-39)33-49(37(3)4)54(48)47-26-25-45(42-29-43(31-44(30-42)61(5,6)7)52-34-40(27-28-63-52)38-19-13-11-14-20-38)56-59(47)67-60(64-56)51-35-50-46-23-17-18-24-53(46)66-58(50)55(57(51)65)62(8,9)10;/h11-28,30-37,65H,1-10H3;/q-1;.
What are the key properties of 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?
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 has a molecular weight of 1073.23 g/mol, XLogP of 17.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171468391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).