3-[4-tert-butyl-6-(2-tert-butyl-5-phenylbenzene-6-id-1-yl)oxy-2-pyridinyl]-6,14-dioxa-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaene;platinum(2+)

C36H30N2O3Pt — CID 162777178

IUPAC3-[4-tert-butyl-6-(2-tert-butyl-5-phenylbenzene-6-id-1-yl)oxy-2-pyridinyl]-6,14-dioxa-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaene;platinum(2+)
SMILESCC(C)(C)c1cc(Oc2[c-]c(-c3[c-]cccc3)ccc2C(C)(C)C)nc(-c2cc3oc4cccc5oc(n2)c3c45)c1.[Pt+2]
InChIInChI=1S/C36H30N2O3.Pt/c1-35(2,3)23-18-25(26-20-30-33-32-27(39-30)13-10-14-28(32)41-34(33)38-26)37-31(19-23)40-29-17-22(21-11-8-7-9-12-21)15-16-24(29)36(4,5)6;/h7-11,13-16,18-20H,1-6H3;/q-2;+2
InChIKeyLVQLQMKYLKRKNJ-UHFFFAOYSA-N
MW733.73 g/mol
LogP9.88
Rot. Bonds4

About 3-[4-tert-butyl-6-(2-tert-butyl-5-phenylbenzene-6-id-1-yl)oxy-2-pyridinyl]-6,14-dioxa-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaene;platinum(2+)

3-[4-tert-butyl-6-(2-tert-butyl-5-phenylbenzene-6-id-1-yl)oxy-2-pyridinyl]-6,14-dioxa-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaene;platinum(2+) (PubChem CID 162777178) has the molecular formula C36H30N2O3Pt and a molecular weight of 733.73 g/mol. Its IUPAC name is 3-[4-tert-butyl-6-(2-tert-butyl-5-phenylbenzene-6-id-1-yl)oxy-2-pyridinyl]-6,14-dioxa-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaene;platinum(2+).

Molecular Properties

Compound Name3-[4-tert-butyl-6-(2-tert-butyl-5-phenylbenzene-6-id-1-yl)oxy-2-pyridinyl]-6,14-dioxa-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaene;platinum(2+)
PubChem CID162777178
Molecular FormulaC36H30N2O3Pt
Molecular Weight733.73 g/mol
Exact Mass733.19
IUPAC Name3-[4-tert-butyl-6-(2-tert-butyl-5-phenylbenzene-6-id-1-yl)oxy-2-pyridinyl]-6,14-dioxa-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaene;platinum(2+)
SMILESCC(C)(C)c1cc(Oc2[c-]c(-c3[c-]cccc3)ccc2C(C)(C)C)nc(-c2cc3oc4cccc5oc(n2)c3c45)c1.[Pt+2]
InChIInChI=1S/C36H30N2O3.Pt/c1-35(2,3)23-18-25(26-20-30-33-32-27(39-30)13-10-14-28(32)41-34(33)38-26)37-31(19-23)40-29-17-22(21-11-8-7-9-12-21)15-16-24(29)36(4,5)6;/h7-11,13-16,18-20H,1-6H3;/q-2;+2
InChIKeyLVQLQMKYLKRKNJ-UHFFFAOYSA-N
XLogP9.88
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.73
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-tert-butyl-6-(2-tert-butyl-5-phenylbenzene-6-id-1-yl)oxy-2-pyridinyl]-6,14-dioxa-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaene;platinum(2+) with MolForge

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Related Compounds

CID 162777282
CID 162777282
3-[4-tert-butyl-6-(2-tert-butyl-5-phenylphenoxy)-2-pyridinyl]-14-oxa-6-thia-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene
CID 162777430
3-[4-tert-butyl-6-(2-tert-butyl-5-phenylphenoxy)-2-pyridinyl]-6-oxa-14-thia-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaene
CID 162777428
3-[3-tert-butyl-5-(2-tert-butyl-5-pyridin-2-ylphenoxy)phenyl]-6,14-dioxa-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaene
CID 162777110
iridium;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-1-yl)silane
CID 155619291
2-(3-tert-butylbenzene-6-id-1-yl)-4-[[6-(4-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]oxy]-6,14-dioxa-3-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;platinum(2+)
CID 162777369
CID 162777242
CID 162777242
CID 164727521
CID 164727521
bis(4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine);iridium(3+);2-phenylpyridine
CID 167425260
6-tert-butyl-3-phenyl-[1]benzofuro[3,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 169291733
3-tert-butyl-2-[3-tert-butyl-5-(6-oxa-14-thiatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaen-3-yl)phenoxy]-6-pyridin-2-ylpyridine
CID 162777351
1-tert-butyl-2-(2-tert-butylphenyl)benzene;1-tert-butyl-2-(3-tert-butylphenyl)benzene;1-tert-butyl-3-(3-tert-butylphenyl)benzene;2,6-ditert-butylnaphthalene;2,7-ditert-butylnaphthalene;1,3-ditert-butyl-5-phenylbenzene-6-ide;yttrium
CID 164958307

Frequently Asked Questions

What is the IUPAC name of 3-[4-tert-butyl-6-(2-tert-butyl-5-phenylbenzene-6-id-1-yl)oxy-2-pyridinyl]-6,14-dioxa-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaene;platinum(2+)?
The IUPAC name of 3-[4-tert-butyl-6-(2-tert-butyl-5-phenylbenzene-6-id-1-yl)oxy-2-pyridinyl]-6,14-dioxa-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaene;platinum(2+) (CID 162777178) is 3-[4-tert-butyl-6-(2-tert-butyl-5-phenylbenzene-6-id-1-yl)oxy-2-pyridinyl]-6,14-dioxa-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaene;platinum(2+).
What is the SMILES notation for 3-[4-tert-butyl-6-(2-tert-butyl-5-phenylbenzene-6-id-1-yl)oxy-2-pyridinyl]-6,14-dioxa-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaene;platinum(2+)?
The canonical SMILES for 3-[4-tert-butyl-6-(2-tert-butyl-5-phenylbenzene-6-id-1-yl)oxy-2-pyridinyl]-6,14-dioxa-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaene;platinum(2+) is CC(C)(C)c1cc(Oc2[c-]c(-c3[c-]cccc3)ccc2C(C)(C)C)nc(-c2cc3oc4cccc5oc(n2)c3c45)c1.[Pt+2].
What is the InChIKey of 3-[4-tert-butyl-6-(2-tert-butyl-5-phenylbenzene-6-id-1-yl)oxy-2-pyridinyl]-6,14-dioxa-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaene;platinum(2+)?
The InChIKey is LVQLQMKYLKRKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N2O3.Pt/c1-35(2,3)23-18-25(26-20-30-33-32-27(39-30)13-10-14-28(32)41-34(33)38-26)37-31(19-23)40-29-17-22(21-11-8-7-9-12-21)15-16-24(29)36(4,5)6;/h7-11,13-16,18-20H,1-6H3;/q-2;+2.
What are the key properties of 3-[4-tert-butyl-6-(2-tert-butyl-5-phenylbenzene-6-id-1-yl)oxy-2-pyridinyl]-6,14-dioxa-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaene;platinum(2+)?
3-[4-tert-butyl-6-(2-tert-butyl-5-phenylbenzene-6-id-1-yl)oxy-2-pyridinyl]-6,14-dioxa-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaene;platinum(2+) has a molecular weight of 733.73 g/mol, XLogP of 9.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-tert-butyl-6-(2-tert-butyl-5-phenylbenzene-6-id-1-yl)oxy-2-pyridinyl]-6,14-dioxa-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaene;platinum(2+) is sourced from PubChem (CID 162777178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).