2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[3,2-b]indol-5-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

C52H44N3O2Pt- — CID 168803320

About 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[3,2-b]indol-5-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[3,2-b]indol-5-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (PubChem CID 168803320) has the molecular formula C52H44N3O2Pt- and a molecular weight of 938.02 g/mol. Its IUPAC name is 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[3,2-b]indol-5-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[3,2-b]indol-5-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
• PubChem CID: 168803320
• Molecular Formula: C52H44N3O2Pt-
• Molecular Weight: 938.02 g/mol
• Exact Mass: 937.31
• IUPAC Name: 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[3,2-b]indol-5-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3[c-]c(-c4cc(-c5cccc6c7occc7n(-c7ccccc7)c56)ccn4)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C52H44N3O2.Pt/c1-51(2,3)38-27-36(28-39(32-38)52(4,5)6)37-30-45(54-46(31-37)42-18-10-11-21-48(42)56)35-15-12-14-34(26-35)44-29-33(22-24-53-44)41-19-13-20-43-49(41)55(40-16-8-7-9-17-40)47-23-25-57-50(43)47;/h7-25,27-32,56H,1-6H3;/q-1
• InChIKey: AXWOWFPVLXGMHB-UHFFFAOYSA-N
• XLogP: 13.60
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	938.02
LogP ≤ 5	13.60
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-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[3,2-b]indol-5-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[3,2-b]indol-5-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (CID 168803320) is 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[3,2-b]indol-5-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

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

The canonical SMILES for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[3,2-b]indol-5-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3[c-]c(-c4cc(-c5cccc6c7occc7n(-c7ccccc7)c56)ccn4)ccc3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.[Pt].

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

The InChIKey is AXWOWFPVLXGMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44N3O2.Pt/c1-51(2,3)38-27-36(28-39(32-38)52(4,5)6)37-30-45(54-46(31-37)42-18-10-11-21-48(42)56)35-15-12-14-34(26-35)44-29-33(22-24-53-44)41-19-13-20-43-49(41)55(40-16-8-7-9-17-40)47-23-25-57-50(43)47;/h7-25,27-32,56H,1-6H3;/q-1;.

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

2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[3,2-b]indol-5-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 938.02 g/mol, XLogP of 13.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(4-phenylfuro[3,2-b]indol-5-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 168803320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).