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-phenyl-2H-benzimidazol-2-ide;platinum

C40H40N3O2Pt-3 — CID 155606624

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-phenyl-2H-benzimidazol-2-ide;platinum
SMILESCc1cc2c(cc1C)N(c1ccccc1)[CH-]N2c1[c-]c(Oc2[c-]c(Oc3cc(C(C)(C)C)ccn3)ccc2)cc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C40H40N3O2.Pt/c1-27-19-36-37(20-28(27)2)43(26-42(36)31-13-10-9-11-14-31)32-21-30(40(6,7)8)22-35(24-32)44-33-15-12-16-34(25-33)45-38-23-29(17-18-41-38)39(3,4)5;/h9-23,26H,1-8H3;/q-3;
InChIKeyGHALRBVHYKQXAF-UHFFFAOYSA-N
MW789.86 g/mol
LogP10.89
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-phenyl-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-phenyl-2H-benzimidazol-2-ide;platinum (PubChem CID 155606624) has the molecular formula C40H40N3O2Pt-3 and a molecular weight of 789.86 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-phenyl-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-phenyl-2H-benzimidazol-2-ide;platinum
PubChem CID155606624
Molecular FormulaC40H40N3O2Pt-3
Molecular Weight789.86 g/mol
Exact Mass789.28
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-phenyl-2H-benzimidazol-2-ide;platinum
SMILESCc1cc2c(cc1C)N(c1ccccc1)[CH-]N2c1[c-]c(Oc2[c-]c(Oc3cc(C(C)(C)C)ccn3)ccc2)cc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C40H40N3O2.Pt/c1-27-19-36-37(20-28(27)2)43(26-42(36)31-13-10-9-11-14-31)32-21-30(40(6,7)8)22-35(24-32)44-33-15-12-16-34(25-33)45-38-23-29(17-18-41-38)39(3,4)5;/h9-23,26H,1-8H3;/q-3;
InChIKeyGHALRBVHYKQXAF-UHFFFAOYSA-N
XLogP10.89
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.86
LogP ≤ 510.89
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-phenyl-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-phenyl-2H-benzimidazol-2-ide;platinum (CID 155606624) 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-phenyl-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-phenyl-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-phenyl-2H-benzimidazol-2-ide;platinum is Cc1cc2c(cc1C)N(c1ccccc1)[CH-]N2c1[c-]c(Oc2[c-]c(Oc3cc(C(C)(C)C)ccn3)ccc2)cc(C(C)(C)C)c1.[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-phenyl-2H-benzimidazol-2-ide;platinum?
The InChIKey is GHALRBVHYKQXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40N3O2.Pt/c1-27-19-36-37(20-28(27)2)43(26-42(36)31-13-10-9-11-14-31)32-21-30(40(6,7)8)22-35(24-32)44-33-15-12-16-34(25-33)45-38-23-29(17-18-41-38)39(3,4)5;/h9-23,26H,1-8H3;/q-3;.
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-phenyl-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-phenyl-2H-benzimidazol-2-ide;platinum has a molecular weight of 789.86 g/mol, XLogP of 10.89, 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-phenyl-2H-benzimidazol-2-ide;platinum is sourced from PubChem (CID 155606624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).