1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum

C35H38N3O2Pt-3 — CID 155606700

IUPAC1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum
SMILES[2H]C([2H])([2H])N1[CH-]N(c2[c-]c(Oc3[c-]c(Oc4cc(C(C)(C)C)ccn4)ccc3)cc(C(C)(C)C)c2)c2cc(C)c(C)cc21.[Pt]
InChIInChI=1S/C35H38N3O2.Pt/c1-23-15-31-32(16-24(23)2)38(22-37(31)9)27-17-26(35(6,7)8)18-30(20-27)39-28-11-10-12-29(21-28)40-33-19-25(13-14-36-33)34(3,4)5;/h10-19,22H,1-9H3;/q-3;/i9D3;
InChIKeyXSQVQYCQPHLTBG-COLGMBELSA-N
MW730.80 g/mol
LogP9.18
Rot. Bonds6

About 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum

1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum (PubChem CID 155606700) has the molecular formula C35H38N3O2Pt-3 and a molecular weight of 730.80 g/mol. Its IUPAC name is 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum.

Molecular Properties

Compound Name1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum
PubChem CID155606700
Molecular FormulaC35H38N3O2Pt-3
Molecular Weight730.80 g/mol
Exact Mass730.28
IUPAC Name1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum
SMILES[2H]C([2H])([2H])N1[CH-]N(c2[c-]c(Oc3[c-]c(Oc4cc(C(C)(C)C)ccn4)ccc3)cc(C(C)(C)C)c2)c2cc(C)c(C)cc21.[Pt]
InChIInChI=1S/C35H38N3O2.Pt/c1-23-15-31-32(16-24(23)2)38(22-37(31)9)27-17-26(35(6,7)8)18-30(20-27)39-28-11-10-12-29(21-28)40-33-19-25(13-14-36-33)34(3,4)5;/h10-19,22H,1-9H3;/q-3;/i9D3;
InChIKeyXSQVQYCQPHLTBG-COLGMBELSA-N
XLogP9.18
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.80
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum?
The IUPAC name of 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum (CID 155606700) is 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum.
What is the SMILES notation for 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum?
The canonical SMILES for 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum is [2H]C([2H])([2H])N1[CH-]N(c2[c-]c(Oc3[c-]c(Oc4cc(C(C)(C)C)ccn4)ccc3)cc(C(C)(C)C)c2)c2cc(C)c(C)cc21.[Pt].
What is the InChIKey of 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum?
The InChIKey is XSQVQYCQPHLTBG-COLGMBELSA-N. The full InChI is InChI=1S/C35H38N3O2.Pt/c1-23-15-31-32(16-24(23)2)38(22-37(31)9)27-17-26(35(6,7)8)18-30(20-27)39-28-11-10-12-29(21-28)40-33-19-25(13-14-36-33)34(3,4)5;/h10-19,22H,1-9H3;/q-3;/i9D3;.
What are the key properties of 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum?
1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum has a molecular weight of 730.80 g/mol, XLogP of 9.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-ide;platinum is sourced from PubChem (CID 155606700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).