2-[6-[3-[4-(3-dibenzofuran-3-yl-1-phenylindol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum

C63H52N3O2Pt- — CID 170524268

About 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-phenylindol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum

2-[6-[3-[4-(3-dibenzofuran-3-yl-1-phenylindol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum (PubChem CID 170524268) has the molecular formula C63H52N3O2Pt- and a molecular weight of 1078.21 g/mol. Its IUPAC name is 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-phenylindol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-phenylindol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum
• PubChem CID: 170524268
• Molecular Formula: C63H52N3O2Pt-
• Molecular Weight: 1078.21 g/mol
• Exact Mass: 1077.37
• IUPAC Name: 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-phenylindol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum
• SMILES: Cc1cc(-c2c(-c3ccc4c(c3)oc3ccccc34)c3ccccc3n2-c2ccccc2)cc(-c2[c-]c(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccc4O)n3)ccc2)n1.[Pt]
• InChI: InChI=1S/C63H52N3O2.Pt/c1-39-30-45(61-60(42-28-29-50-49-22-13-16-27-58(49)68-59(50)37-42)52-24-11-14-25-56(52)66(61)48-20-9-8-10-21-48)36-53(64-39)40-18-17-19-41(31-40)54-34-44(35-55(65-54)51-23-12-15-26-57(51)67)43-32-46(62(2,3)4)38-47(33-43)63(5,6)7;/h8-30,32-38,67H,1-7H3;/q-1
• InChIKey: STCRZJKHJDUOKN-UHFFFAOYSA-N
• XLogP: 16.73
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1078.21
LogP ≤ 5	16.73
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-[6-[3-[4-(3-dibenzofuran-3-yl-1-phenylindol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-phenylindol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum (CID 170524268) is 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-phenylindol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-phenylindol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum?

The canonical SMILES for 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-phenylindol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum is Cc1cc(-c2c(-c3ccc4c(c3)oc3ccccc34)c3ccccc3n2-c2ccccc2)cc(-c2[c-]c(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccc4O)n3)ccc2)n1.[Pt].

What is the InChIKey of 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-phenylindol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum?

The InChIKey is STCRZJKHJDUOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H52N3O2.Pt/c1-39-30-45(61-60(42-28-29-50-49-22-13-16-27-58(49)68-59(50)37-42)52-24-11-14-25-56(52)66(61)48-20-9-8-10-21-48)36-53(64-39)40-18-17-19-41(31-40)54-34-44(35-55(65-54)51-23-12-15-26-57(51)67)43-32-46(62(2,3)4)38-47(33-43)63(5,6)7;/h8-30,32-38,67H,1-7H3;/q-1;.

What are the key properties of 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-phenylindol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum?

2-[6-[3-[4-(3-dibenzofuran-3-yl-1-phenylindol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum has a molecular weight of 1078.21 g/mol, XLogP of 16.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-phenylindol-2-yl)-6-methyl-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 170524268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).