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

C46H47N2OPt- — CID 162471850

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

2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum (PubChem CID 162471850) has the molecular formula C46H47N2OPt- and a molecular weight of 838.97 g/mol. Its IUPAC name is 2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum
• PubChem CID: 162471850
• Molecular Formula: C46H47N2OPt-
• Molecular Weight: 838.97 g/mol
• Exact Mass: 838.33
• IUPAC Name: 2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum
• SMILES: CC(C)(C)c1ccc(-c2ccnc(-c3[c-]c(-c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(-c5ccccc5O)n4)ccc3)c2)cc1.[Pt]
• InChI: InChI=1S/C46H47N2O.Pt/c1-44(2,3)36-19-17-30(18-20-36)31-21-22-47-40(26-31)32-13-12-14-33(23-32)41-27-35(28-42(48-41)39-15-10-11-16-43(39)49)34-24-37(45(4,5)6)29-38(25-34)46(7,8)9;/h10-22,24-29,49H,1-9H3;/q-1
• InChIKey: RZGMNDYROYTFTI-UHFFFAOYSA-N
• XLogP: 12.21
• TPSA: 46.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.97
LogP ≤ 5	12.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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-(4-tert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum (CID 162471850) is 2-[6-[3-[4-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum?

The canonical SMILES for 2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum is CC(C)(C)c1ccc(-c2ccnc(-c3[c-]c(-c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(-c5ccccc5O)n4)ccc3)c2)cc1.[Pt].

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

The InChIKey is RZGMNDYROYTFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H47N2O.Pt/c1-44(2,3)36-19-17-30(18-20-36)31-21-22-47-40(26-31)32-13-12-14-33(23-32)41-27-35(28-42(48-41)39-15-10-11-16-43(39)49)34-24-37(45(4,5)6)29-38(25-34)46(7,8)9;/h10-22,24-29,49H,1-9H3;/q-1;.

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

2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum has a molecular weight of 838.97 g/mol, XLogP of 12.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 162471850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).