2-[3-(4-tert-butyl-2,6-dimethyl-N-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]anilino)benzene-2-id-1-yl]phenol;platinum

C35H34N3OPt- — CID 164731392

IUPAC2-[3-(4-tert-butyl-2,6-dimethyl-N-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]anilino)benzene-2-id-1-yl]phenol;platinum
SMILESCc1cccc(-c2cccc(N(c3[c-]c(-c4ccccc4O)ccc3)c3c(C)cc(C(C)(C)C)cc3C)n2)n1.[Pt]
InChIInChI=1S/C35H34N3O.Pt/c1-23-20-27(35(4,5)6)21-24(2)34(23)38(28-14-10-13-26(22-28)29-15-7-8-18-32(29)39)33-19-11-17-31(37-33)30-16-9-12-25(3)36-30;/h7-21,39H,1-6H3;/q-1;
InChIKeyXUPAZTLMZPJFSY-UHFFFAOYSA-N
MW707.76 g/mol
LogP9.01
Rot. Bonds5

About 2-[3-(4-tert-butyl-2,6-dimethyl-N-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]anilino)benzene-2-id-1-yl]phenol;platinum

2-[3-(4-tert-butyl-2,6-dimethyl-N-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]anilino)benzene-2-id-1-yl]phenol;platinum (PubChem CID 164731392) has the molecular formula C35H34N3OPt- and a molecular weight of 707.76 g/mol. Its IUPAC name is 2-[3-(4-tert-butyl-2,6-dimethyl-N-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]anilino)benzene-2-id-1-yl]phenol;platinum.

Molecular Properties

Compound Name2-[3-(4-tert-butyl-2,6-dimethyl-N-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]anilino)benzene-2-id-1-yl]phenol;platinum
PubChem CID164731392
Molecular FormulaC35H34N3OPt-
Molecular Weight707.76 g/mol
Exact Mass707.24
IUPAC Name2-[3-(4-tert-butyl-2,6-dimethyl-N-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]anilino)benzene-2-id-1-yl]phenol;platinum
SMILESCc1cccc(-c2cccc(N(c3[c-]c(-c4ccccc4O)ccc3)c3c(C)cc(C(C)(C)C)cc3C)n2)n1.[Pt]
InChIInChI=1S/C35H34N3O.Pt/c1-23-20-27(35(4,5)6)21-24(2)34(23)38(28-14-10-13-26(22-28)29-15-7-8-18-32(29)39)33-19-11-17-31(37-33)30-16-9-12-25(3)36-30;/h7-21,39H,1-6H3;/q-1;
InChIKeyXUPAZTLMZPJFSY-UHFFFAOYSA-N
XLogP9.01
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.76
LogP ≤ 59.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3,5-ditert-butyl-N-[6-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-pyridinyl]anilino)benzene-2-id-1-yl]phenol;platinum
CID 164731372
2-[3-(4-tert-butyl-N-[6-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-pyridinyl]-2,6-dimethylanilino)benzene-2-id-1-yl]-6-fluorophenol;platinum
CID 164731405
2-[3-(4-tert-butyl-N-[6-(3,5-ditert-butyl-2-pyridinyl)-2-pyridinyl]-2,6-dimethylanilino)benzene-2-id-1-yl]-6-fluorophenol;platinum
CID 164731396
2-[4-(3,5-ditert-butylphenyl)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;methane;platinum
CID 159267999
2-[4-(3,5-ditert-butylphenyl)-6-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-2-pyridinyl]phenol;methane;platinum
CID 159418074
2,4-ditert-butyl-6-[4-tert-butyl-6-[3-(2,6-diphenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-1,3,5-triazin-2-yl]phenol;platinum
CID 153280503
4-tert-butyl-2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]pyrazin-2-yl]phenol;platinum
CID 153280356
2-[6-[3-(N-[3-(2-phenylpropan-2-yl)-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 164742061
2-[6-[3-(2-phenylpropan-2-yl)-5-(N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum
CID 164742111
2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel
CID 153499003
2-[3-(N-phenylanilino)-5-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzene-6-id-1-yl]phenol;platinum(2+)
CID 171752210
2-[4-[3-[dibenzofuran-4-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;2-[4-[3-(2,6-dimethyl-4-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;2-[4-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;2-[4-[3-[(2,6-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum
CID 159223720

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-tert-butyl-2,6-dimethyl-N-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]anilino)benzene-2-id-1-yl]phenol;platinum?
The IUPAC name of 2-[3-(4-tert-butyl-2,6-dimethyl-N-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]anilino)benzene-2-id-1-yl]phenol;platinum (CID 164731392) is 2-[3-(4-tert-butyl-2,6-dimethyl-N-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]anilino)benzene-2-id-1-yl]phenol;platinum.
What is the SMILES notation for 2-[3-(4-tert-butyl-2,6-dimethyl-N-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]anilino)benzene-2-id-1-yl]phenol;platinum?
The canonical SMILES for 2-[3-(4-tert-butyl-2,6-dimethyl-N-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]anilino)benzene-2-id-1-yl]phenol;platinum is Cc1cccc(-c2cccc(N(c3[c-]c(-c4ccccc4O)ccc3)c3c(C)cc(C(C)(C)C)cc3C)n2)n1.[Pt].
What is the InChIKey of 2-[3-(4-tert-butyl-2,6-dimethyl-N-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]anilino)benzene-2-id-1-yl]phenol;platinum?
The InChIKey is XUPAZTLMZPJFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N3O.Pt/c1-23-20-27(35(4,5)6)21-24(2)34(23)38(28-14-10-13-26(22-28)29-15-7-8-18-32(29)39)33-19-11-17-31(37-33)30-16-9-12-25(3)36-30;/h7-21,39H,1-6H3;/q-1;.
What are the key properties of 2-[3-(4-tert-butyl-2,6-dimethyl-N-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]anilino)benzene-2-id-1-yl]phenol;platinum?
2-[3-(4-tert-butyl-2,6-dimethyl-N-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]anilino)benzene-2-id-1-yl]phenol;platinum has a molecular weight of 707.76 g/mol, XLogP of 9.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-tert-butyl-2,6-dimethyl-N-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]anilino)benzene-2-id-1-yl]phenol;platinum is sourced from PubChem (CID 164731392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).