2-[4-[3-tert-butyl-5-[6-[3-tert-butyl-5-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]benzene-6-id-1-yl]pyrimidin-4-yl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum

C50H40N4O4Pt2-2 — CID 176622936

About 2-[4-[3-tert-butyl-5-[6-[3-tert-butyl-5-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]benzene-6-id-1-yl]pyrimidin-4-yl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum

2-[4-[3-tert-butyl-5-[6-[3-tert-butyl-5-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]benzene-6-id-1-yl]pyrimidin-4-yl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum (PubChem CID 176622936) has the molecular formula C50H40N4O4Pt2-2 and a molecular weight of 1151.05 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[6-[3-tert-butyl-5-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]benzene-6-id-1-yl]pyrimidin-4-yl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-[6-[3-tert-butyl-5-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]benzene-6-id-1-yl]pyrimidin-4-yl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
• PubChem CID: 176622936
• Molecular Formula: C50H40N4O4Pt2-2
• Molecular Weight: 1151.05 g/mol
• Exact Mass: 1150.24
• IUPAC Name: 2-[4-[3-tert-butyl-5-[6-[3-tert-butyl-5-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]benzene-6-id-1-yl]pyrimidin-4-yl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3[c-]c(-c4cccc5oc(-c6ccccc6O)nc45)cc(C(C)(C)C)c3)ncn2)[c-]c(-c2cccc3oc(-c4ccccc4O)nc23)c1.[Pt].[Pt]
• InChI: InChI=1S/C50H40N4O4.2Pt/c1-49(2,3)33-23-29(35-15-11-19-43-45(35)53-47(57-43)37-13-7-9-17-41(37)55)21-31(25-33)39-27-40(52-28-51-39)32-22-30(24-34(26-32)50(4,5)6)36-16-12-20-44-46(36)54-48(58-44)38-14-8-10-18-42(38)56;;/h7-20,23-28,55-56H,1-6H3;;/q-2
• InChIKey: VIXDVYLNMHMGKB-UHFFFAOYSA-N
• XLogP: 12.36
• TPSA: 118.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1151.05
LogP ≤ 5	12.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-tert-butyl-5-[6-[3-tert-butyl-5-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]benzene-6-id-1-yl]pyrimidin-4-yl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-tert-butyl-5-[6-[3-tert-butyl-5-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]benzene-6-id-1-yl]pyrimidin-4-yl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum (CID 176622936) is 2-[4-[3-tert-butyl-5-[6-[3-tert-butyl-5-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]benzene-6-id-1-yl]pyrimidin-4-yl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[4-[3-tert-butyl-5-[6-[3-tert-butyl-5-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]benzene-6-id-1-yl]pyrimidin-4-yl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[4-[3-tert-butyl-5-[6-[3-tert-butyl-5-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]benzene-6-id-1-yl]pyrimidin-4-yl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3[c-]c(-c4cccc5oc(-c6ccccc6O)nc45)cc(C(C)(C)C)c3)ncn2)[c-]c(-c2cccc3oc(-c4ccccc4O)nc23)c1.[Pt].[Pt].

What is the InChIKey of 2-[4-[3-tert-butyl-5-[6-[3-tert-butyl-5-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]benzene-6-id-1-yl]pyrimidin-4-yl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

The InChIKey is VIXDVYLNMHMGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N4O4.2Pt/c1-49(2,3)33-23-29(35-15-11-19-43-45(35)53-47(57-43)37-13-7-9-17-41(37)55)21-31(25-33)39-27-40(52-28-51-39)32-22-30(24-34(26-32)50(4,5)6)36-16-12-20-44-46(36)54-48(58-44)38-14-8-10-18-42(38)56;;/h7-20,23-28,55-56H,1-6H3;;/q-2;;.

What are the key properties of 2-[4-[3-tert-butyl-5-[6-[3-tert-butyl-5-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]benzene-6-id-1-yl]pyrimidin-4-yl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

2-[4-[3-tert-butyl-5-[6-[3-tert-butyl-5-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]benzene-6-id-1-yl]pyrimidin-4-yl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum has a molecular weight of 1151.05 g/mol, XLogP of 12.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-tert-butyl-5-[6-[3-tert-butyl-5-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]benzene-6-id-1-yl]pyrimidin-4-yl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum is sourced from PubChem (CID 176622936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).