6-(4-tert-butyl-2-pyridinyl)-N-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]pyridin-1-id-2-imine;platinum(2+)

C29H30N4Pt — CID 162457392

IUPAC6-(4-tert-butyl-2-pyridinyl)-N-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]pyridin-1-id-2-imine;platinum(2+)
SMILESCC(C)(C)c1ccnc(-c2[c-]c(/N=c3/cccc(-c4cc(C(C)(C)C)ccn4)[n-]3)ccc2)c1.[Pt+2]
InChIInChI=1S/C29H30N4.Pt/c1-28(2,3)21-13-15-30-25(18-21)20-9-7-10-23(17-20)32-27-12-8-11-24(33-27)26-19-22(14-16-31-26)29(4,5)6;/h7-16,18-19H,1-6H3;/q-2;+2
InChIKeySOAOEILKFSRYLD-UHFFFAOYSA-N
MW629.67 g/mol
LogP6.39
Rot. Bonds3

About 6-(4-tert-butyl-2-pyridinyl)-N-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]pyridin-1-id-2-imine;platinum(2+)

6-(4-tert-butyl-2-pyridinyl)-N-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]pyridin-1-id-2-imine;platinum(2+) (PubChem CID 162457392) has the molecular formula C29H30N4Pt and a molecular weight of 629.67 g/mol. Its IUPAC name is 6-(4-tert-butyl-2-pyridinyl)-N-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]pyridin-1-id-2-imine;platinum(2+).

Molecular Properties

Compound Name6-(4-tert-butyl-2-pyridinyl)-N-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]pyridin-1-id-2-imine;platinum(2+)
PubChem CID162457392
Molecular FormulaC29H30N4Pt
Molecular Weight629.67 g/mol
Exact Mass629.21
IUPAC Name6-(4-tert-butyl-2-pyridinyl)-N-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]pyridin-1-id-2-imine;platinum(2+)
SMILESCC(C)(C)c1ccnc(-c2[c-]c(/N=c3/cccc(-c4cc(C(C)(C)C)ccn4)[n-]3)ccc2)c1.[Pt+2]
InChIInChI=1S/C29H30N4.Pt/c1-28(2,3)21-13-15-30-25(18-21)20-9-7-10-23(17-20)32-27-12-8-11-24(33-27)26-19-22(14-16-31-26)29(4,5)6;/h7-16,18-19H,1-6H3;/q-2;+2
InChIKeySOAOEILKFSRYLD-UHFFFAOYSA-N
XLogP6.39
TPSA52.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.67
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-(4-tert-butyl-2-pyridinyl)pyridin-1-id-2-imine;platinum(2+)
CID 162457376
4-tert-butyl-2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;platinum(2+)
CID 153429120
4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+)
CID 153428839
4-tert-butyl-2-[3-[5-(4-tert-butyl-2-pyridinyl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]pyridine;platinum(2+)
CID 153428858
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;carbanide;platinum(2+)
CID 10962043
2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine
CID 156780767
5-(4-tert-butyl-2-pyridinyl)-7-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]-6H-quinolin-6-ide;platinum(2+)
CID 153428747
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
4-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2,2-dimethylpropyl)-3,7-phenanthroline;platinum(2+)
CID 156667220
2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 15827510
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
CID 163924477
CID 163924477

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butyl-2-pyridinyl)-N-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]pyridin-1-id-2-imine;platinum(2+)?
The IUPAC name of 6-(4-tert-butyl-2-pyridinyl)-N-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]pyridin-1-id-2-imine;platinum(2+) (CID 162457392) is 6-(4-tert-butyl-2-pyridinyl)-N-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]pyridin-1-id-2-imine;platinum(2+).
What is the SMILES notation for 6-(4-tert-butyl-2-pyridinyl)-N-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]pyridin-1-id-2-imine;platinum(2+)?
The canonical SMILES for 6-(4-tert-butyl-2-pyridinyl)-N-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]pyridin-1-id-2-imine;platinum(2+) is CC(C)(C)c1ccnc(-c2[c-]c(/N=c3/cccc(-c4cc(C(C)(C)C)ccn4)[n-]3)ccc2)c1.[Pt+2].
What is the InChIKey of 6-(4-tert-butyl-2-pyridinyl)-N-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]pyridin-1-id-2-imine;platinum(2+)?
The InChIKey is SOAOEILKFSRYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4.Pt/c1-28(2,3)21-13-15-30-25(18-21)20-9-7-10-23(17-20)32-27-12-8-11-24(33-27)26-19-22(14-16-31-26)29(4,5)6;/h7-16,18-19H,1-6H3;/q-2;+2.
What are the key properties of 6-(4-tert-butyl-2-pyridinyl)-N-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]pyridin-1-id-2-imine;platinum(2+)?
6-(4-tert-butyl-2-pyridinyl)-N-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]pyridin-1-id-2-imine;platinum(2+) has a molecular weight of 629.67 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butyl-2-pyridinyl)-N-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]pyridin-1-id-2-imine;platinum(2+) is sourced from PubChem (CID 162457392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).