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

C46H44N3O2Pt-3 — CID 155606508

IUPAC1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-phenylbenzene-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)cc(-c3ccccc3)c2)cc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C46H44N3O2.Pt/c1-31-21-42-43(22-32(31)2)49(30-48(42)37-17-13-10-14-18-37)38-25-36(46(6,7)8)26-41(28-38)50-39-23-34(33-15-11-9-12-16-33)24-40(29-39)51-44-27-35(19-20-47-44)45(3,4)5;/h9-27,30H,1-8H3;/q-3;
InChIKeyPVIAXWCWVQCNAM-UHFFFAOYSA-N
MW865.95 g/mol
LogP12.55
Rot. Bonds7

About 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-phenylbenzene-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]-5-phenylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-phenyl-2H-benzimidazol-2-ide;platinum (PubChem CID 155606508) has the molecular formula C46H44N3O2Pt-3 and a molecular weight of 865.95 g/mol. Its IUPAC name is 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-phenylbenzene-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]-5-phenylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-phenyl-2H-benzimidazol-2-ide;platinum
PubChem CID155606508
Molecular FormulaC46H44N3O2Pt-3
Molecular Weight865.95 g/mol
Exact Mass865.31
IUPAC Name1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-phenylbenzene-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)cc(-c3ccccc3)c2)cc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C46H44N3O2.Pt/c1-31-21-42-43(22-32(31)2)49(30-48(42)37-17-13-10-14-18-37)38-25-36(46(6,7)8)26-41(28-38)50-39-23-34(33-15-11-9-12-16-33)24-40(29-39)51-44-27-35(19-20-47-44)45(3,4)5;/h9-27,30H,1-8H3;/q-3;
InChIKeyPVIAXWCWVQCNAM-UHFFFAOYSA-N
XLogP12.55
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.95
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-phenylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-phenyl-2H-benzimidazol-2-ide;platinum with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-phenylbenzene-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]-5-phenylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-phenyl-2H-benzimidazol-2-ide;platinum (CID 155606508) is 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-phenylbenzene-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]-5-phenylbenzene-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]-5-phenylbenzene-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)cc(-c3ccccc3)c2)cc(C(C)(C)C)c1.[Pt].
What is the InChIKey of 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-phenylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-phenyl-2H-benzimidazol-2-ide;platinum?
The InChIKey is PVIAXWCWVQCNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H44N3O2.Pt/c1-31-21-42-43(22-32(31)2)49(30-48(42)37-17-13-10-14-18-37)38-25-36(46(6,7)8)26-41(28-38)50-39-23-34(33-15-11-9-12-16-33)24-40(29-39)51-44-27-35(19-20-47-44)45(3,4)5;/h9-27,30H,1-8H3;/q-3;.
What are the key properties of 1-[3-tert-butyl-5-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-phenylbenzene-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]-5-phenylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-phenyl-2H-benzimidazol-2-ide;platinum has a molecular weight of 865.95 g/mol, XLogP of 12.55, 7 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]-5-phenylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-5,6-dimethyl-3-phenyl-2H-benzimidazol-2-ide;platinum is sourced from PubChem (CID 155606508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).