2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)-5-tert-butylbenzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]-4-tert-butylphenol;platinum

C45H42N3O2Pt- — CID 177110241

About 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)-5-tert-butylbenzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]-4-tert-butylphenol;platinum

2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)-5-tert-butylbenzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]-4-tert-butylphenol;platinum (PubChem CID 177110241) has the molecular formula C45H42N3O2Pt- and a molecular weight of 851.93 g/mol. Its IUPAC name is 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)-5-tert-butylbenzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]-4-tert-butylphenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)-5-tert-butylbenzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]-4-tert-butylphenol;platinum
• PubChem CID: 177110241
• Molecular Formula: C45H42N3O2Pt-
• Molecular Weight: 851.93 g/mol
• Exact Mass: 851.29
• IUPAC Name: 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)-5-tert-butylbenzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]-4-tert-butylphenol;platinum
• SMILES: CC(C)n1c(-c2cc(C(C)(C)C)ccc2O)nc2c(-c3[c-]c(-c4cc5c6ccccc6oc5c5cccnc45)cc(C(C)(C)C)c3)cccc21.[Pt]
• InChI: InChI=1S/C45H42N3O2.Pt/c1-26(2)48-37-16-11-14-31(41(37)47-43(48)36-24-29(44(3,4)5)18-19-38(36)49)27-21-28(23-30(22-27)45(6,7)8)34-25-35-32-13-9-10-17-39(32)50-42(35)33-15-12-20-46-40(33)34;/h9-20,22-26,49H,1-8H3;/q-1
• InChIKey: OUYIADZIPKCZKF-UHFFFAOYSA-N
• XLogP: 12.16
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.93
LogP ≤ 5	12.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)-5-tert-butylbenzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]-4-tert-butylphenol;platinum?

The IUPAC name of 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)-5-tert-butylbenzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]-4-tert-butylphenol;platinum (CID 177110241) is 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)-5-tert-butylbenzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]-4-tert-butylphenol;platinum.

What is the SMILES notation for 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)-5-tert-butylbenzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]-4-tert-butylphenol;platinum?

The canonical SMILES for 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)-5-tert-butylbenzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]-4-tert-butylphenol;platinum is CC(C)n1c(-c2cc(C(C)(C)C)ccc2O)nc2c(-c3[c-]c(-c4cc5c6ccccc6oc5c5cccnc45)cc(C(C)(C)C)c3)cccc21.[Pt].

What is the InChIKey of 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)-5-tert-butylbenzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]-4-tert-butylphenol;platinum?

The InChIKey is OUYIADZIPKCZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H42N3O2.Pt/c1-26(2)48-37-16-11-14-31(41(37)47-43(48)36-24-29(44(3,4)5)18-19-38(36)49)27-21-28(23-30(22-27)45(6,7)8)34-25-35-32-13-9-10-17-39(32)50-42(35)33-15-12-20-46-40(33)34;/h9-20,22-26,49H,1-8H3;/q-1;.

What are the key properties of 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)-5-tert-butylbenzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]-4-tert-butylphenol;platinum?

2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)-5-tert-butylbenzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]-4-tert-butylphenol;platinum has a molecular weight of 851.93 g/mol, XLogP of 12.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)-5-tert-butylbenzene-2-id-1-yl]-1-propan-2-ylbenzimidazol-2-yl]-4-tert-butylphenol;platinum is sourced from PubChem (CID 177110241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).