2-(4-tert-butyl-5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]quinolin-8-ol;platinum

C35H35N4OPt- — CID 171580321

IUPAC2-(4-tert-butyl-5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]quinolin-8-ol;platinum
SMILES[2H]C([2H])([2H])C(c1ccc(O)c2nc(-c3[c-]c4c(c(C(C)(C)C)c3)N(C)c3ccccc3N4c3ccccn3)ccc12)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Pt]
InChIInChI=1S/C35H35N4O.Pt/c1-34(2,3)24-16-18-30(40)32-23(24)15-17-26(37-32)22-20-25(35(4,5)6)33-29(21-22)39(31-14-10-11-19-36-31)28-13-9-8-12-27(28)38(33)7;/h8-20,40H,1-7H3;/q-1;/i1D3,2D3,3D3;
InChIKeyCLHNVDHRJRNGBZ-KYRNGWDOSA-N
MW731.82 g/mol
LogP8.95
Rot. Bonds2

About 2-(4-tert-butyl-5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]quinolin-8-ol;platinum

2-(4-tert-butyl-5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]quinolin-8-ol;platinum (PubChem CID 171580321) has the molecular formula C35H35N4OPt- and a molecular weight of 731.82 g/mol. Its IUPAC name is 2-(4-tert-butyl-5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]quinolin-8-ol;platinum.

Molecular Properties

Compound Name2-(4-tert-butyl-5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]quinolin-8-ol;platinum
PubChem CID171580321
Molecular FormulaC35H35N4OPt-
Molecular Weight731.82 g/mol
Exact Mass731.30
IUPAC Name2-(4-tert-butyl-5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]quinolin-8-ol;platinum
SMILES[2H]C([2H])([2H])C(c1ccc(O)c2nc(-c3[c-]c4c(c(C(C)(C)C)c3)N(C)c3ccccc3N4c3ccccn3)ccc12)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Pt]
InChIInChI=1S/C35H35N4O.Pt/c1-34(2,3)24-16-18-30(40)32-23(24)15-17-26(37-32)22-20-25(35(4,5)6)33-29(21-22)39(31-14-10-11-19-36-31)28-13-9-8-12-27(28)38(33)7;/h8-20,40H,1-7H3;/q-1;/i1D3,2D3,3D3;
InChIKeyCLHNVDHRJRNGBZ-KYRNGWDOSA-N
XLogP8.95
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.82
LogP ≤ 58.95
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

2-(1-methoxy-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum
CID 171579711
2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum
CID 171580341
2-(8-isocyano-5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-propan-2-ylquinolin-8-ol;platinum
CID 171580358
2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(trifluoromethyl)quinolin-8-ol;platinum
CID 171580331
7-ethyl-2-(5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-propan-2-ylquinolin-8-ol;platinum
CID 171580161
2-(4-methoxy-5-methyl-10-pyridin-2-ylphenazin-2-yl)-5-propan-2-ylquinolin-8-ol
CID 171579824
7-(4-tert-butylphenyl)-2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum
CID 171579713
5-(2,6-dimethylphenyl)-2-(10-pyridin-2-ylspiro[4H-acridin-4-ide-9,9'-fluorene]-3-yl)quinolin-8-ol;platinum
CID 171579845
2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum
CID 171579771
2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]-5-propan-2-ylquinolin-8-ol;platinum
CID 171579724
5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606050
5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]methyl]quinolin-8-ol;platinum
CID 176606633

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]quinolin-8-ol;platinum?
The IUPAC name of 2-(4-tert-butyl-5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]quinolin-8-ol;platinum (CID 171580321) is 2-(4-tert-butyl-5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]quinolin-8-ol;platinum.
What is the SMILES notation for 2-(4-tert-butyl-5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]quinolin-8-ol;platinum?
The canonical SMILES for 2-(4-tert-butyl-5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]quinolin-8-ol;platinum is [2H]C([2H])([2H])C(c1ccc(O)c2nc(-c3[c-]c4c(c(C(C)(C)C)c3)N(C)c3ccccc3N4c3ccccn3)ccc12)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Pt].
What is the InChIKey of 2-(4-tert-butyl-5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]quinolin-8-ol;platinum?
The InChIKey is CLHNVDHRJRNGBZ-KYRNGWDOSA-N. The full InChI is InChI=1S/C35H35N4O.Pt/c1-34(2,3)24-16-18-30(40)32-23(24)15-17-26(37-32)22-20-25(35(4,5)6)33-29(21-22)39(31-14-10-11-19-36-31)28-13-9-8-12-27(28)38(33)7;/h8-20,40H,1-7H3;/q-1;/i1D3,2D3,3D3;.
What are the key properties of 2-(4-tert-butyl-5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]quinolin-8-ol;platinum?
2-(4-tert-butyl-5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]quinolin-8-ol;platinum has a molecular weight of 731.82 g/mol, XLogP of 8.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]quinolin-8-ol;platinum is sourced from PubChem (CID 171580321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).