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+)

C36H30N2O3Pt — CID 162777369

IUPAC2-(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+)
SMILESCC(C)(C)c1c[c-]c(-c2cccc(Oc3nc(-c4[c-]ccc(C(C)(C)C)c4)c4oc5cccc6oc3c4c65)n2)cc1.[Pt+2]
InChIInChI=1S/C36H30N2O3.Pt/c1-35(2,3)23-18-16-21(17-19-23)25-12-8-15-28(37-25)41-34-33-30-29-26(13-9-14-27(29)40-33)39-32(30)31(38-34)22-10-7-11-24(20-22)36(4,5)6;/h7-9,11-16,18-20H,1-6H3;/q-2;+2
InChIKeyGFEAKXPOYWBBHF-UHFFFAOYSA-N
MW733.73 g/mol
LogP9.88
Rot. Bonds4

About 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+)

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+) (PubChem CID 162777369) has the molecular formula C36H30N2O3Pt and a molecular weight of 733.73 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name2-(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+)
PubChem CID162777369
Molecular FormulaC36H30N2O3Pt
Molecular Weight733.73 g/mol
Exact Mass733.19
IUPAC Name2-(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+)
SMILESCC(C)(C)c1c[c-]c(-c2cccc(Oc3nc(-c4[c-]ccc(C(C)(C)C)c4)c4oc5cccc6oc3c4c65)n2)cc1.[Pt+2]
InChIInChI=1S/C36H30N2O3.Pt/c1-35(2,3)23-18-16-21(17-19-23)25-12-8-15-28(37-25)41-34-33-30-29-26(13-9-14-27(29)40-33)39-32(30)31(38-34)22-10-7-11-24(20-22)36(4,5)6;/h7-9,11-16,18-20H,1-6H3;/q-2;+2
InChIKeyGFEAKXPOYWBBHF-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 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+) with MolForge

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Related Compounds

CID 162777242
CID 162777242
2-(3-tert-butylbenzene-6-id-1-yl)-4-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)-5-methylpyridine;4,5-dimethyl-2-(4-methylbenzene-6-id-1-yl)pyridine;iridium
CID 164802720
4-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;iridium;2-methyl-6-phenylpyridine
CID 140788907
2-(4-tert-butylbenzene-6-id-1-yl)-6-[1-[6-(4-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]cyclohexyl]pyridine;platinum(2+)
CID 58637610
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
CID 162777282
CID 162777282
bis(4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine);iridium(3+);2-phenylpyridine
CID 167425260
2-(3-tert-butylbenzene-6-id-1-yl)-6-[7-(4-tert-butyl-2-pyridinyl)-8H-naphthalen-8-id-1-yl]pyridine;platinum(2+)
CID 58661087
2-(4-tert-butylbenzene-6-id-1-yl)pyridine;iridium;2-methyl-8-[4-(4-methylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 154591112
2-(3-tert-butylbenzene-6-id-1-yl)-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-2-yl)pyridine;4,5-dimethyl-2-(4-methylbenzene-6-id-1-yl)pyridine;iridium
CID 164802896
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium(3+);bis(2-methyl-6-phenylpyridine)
CID 59500229
5-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 167357599

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is CC(C)(C)c1c[c-]c(-c2cccc(Oc3nc(-c4[c-]ccc(C(C)(C)C)c4)c4oc5cccc6oc3c4c65)n2)cc1.[Pt+2].
What is the InChIKey of 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+)?
The InChIKey is GFEAKXPOYWBBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N2O3.Pt/c1-35(2,3)23-18-16-21(17-19-23)25-12-8-15-28(37-25)41-34-33-30-29-26(13-9-14-27(29)40-33)39-32(30)31(38-34)22-10-7-11-24(20-22)36(4,5)6;/h7-9,11-16,18-20H,1-6H3;/q-2;+2.
What are the key properties of 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+)?
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+) 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 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+) is sourced from PubChem (CID 162777369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).