2-tert-butyl-4-[4-[3-tert-butyl-5-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-3-ol;platinum

C70H71N2O3Pt- — CID 171468431

About 2-tert-butyl-4-[4-[3-tert-butyl-5-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-3-ol;platinum

2-tert-butyl-4-[4-[3-tert-butyl-5-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-3-ol;platinum (PubChem CID 171468431) has the molecular formula C70H71N2O3Pt- and a molecular weight of 1184.43 g/mol. Its IUPAC name is 2-tert-butyl-4-[4-[3-tert-butyl-5-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-3-ol;platinum.

Molecular Properties

• Compound Name: 2-tert-butyl-4-[4-[3-tert-butyl-5-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-3-ol;platinum
• PubChem CID: 171468431
• Molecular Formula: C70H71N2O3Pt-
• Molecular Weight: 1184.43 g/mol
• Exact Mass: 1183.52
• IUPAC Name: 2-tert-butyl-4-[4-[3-tert-butyl-5-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-3-ol;platinum
• SMILES: [2H]C1(c2ccc(-c3ccnc(-c4[c-]c(-c5ccc(-c6c(C(C)C)cc(-c7ccccc7)cc6C(C)C)c6oc(-c7c(O)c(C(C)(C)C)cc8c7oc7ccccc78)nc56)cc(C(C)(C)C)c4)c3)cc2)CCC(C)(C)CC1.[Pt]
• InChI: InChI=1S/C70H71N2O3.Pt/c1-41(2)55-37-48(43-18-14-13-15-19-43)38-56(42(3)4)61(55)54-27-26-52(63-66(54)75-67(72-63)62-64(73)58(69(8,9)10)40-57-53-20-16-17-21-60(53)74-65(57)62)49-34-50(36-51(35-49)68(5,6)7)59-39-47(30-33-71-59)45-24-22-44(23-25-45)46-28-31-70(11,12)32-29-46;/h13-27,30,33,35-42,46,73H,28-29,31-32H2,1-12H3;/q-1;/i46D
• InChIKey: SBIGIGCKTTXCBC-ZZTKMIAOSA-N
• XLogP: 20.15
• TPSA: 72.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1184.43
LogP ≤ 5	20.15
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-tert-butyl-4-[4-[3-tert-butyl-5-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-3-ol;platinum?

The IUPAC name of 2-tert-butyl-4-[4-[3-tert-butyl-5-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-3-ol;platinum (CID 171468431) is 2-tert-butyl-4-[4-[3-tert-butyl-5-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-3-ol;platinum.

What is the SMILES notation for 2-tert-butyl-4-[4-[3-tert-butyl-5-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-3-ol;platinum?

The canonical SMILES for 2-tert-butyl-4-[4-[3-tert-butyl-5-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-3-ol;platinum is [2H]C1(c2ccc(-c3ccnc(-c4[c-]c(-c5ccc(-c6c(C(C)C)cc(-c7ccccc7)cc6C(C)C)c6oc(-c7c(O)c(C(C)(C)C)cc8c7oc7ccccc78)nc56)cc(C(C)(C)C)c4)c3)cc2)CCC(C)(C)CC1.[Pt].

What is the InChIKey of 2-tert-butyl-4-[4-[3-tert-butyl-5-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-3-ol;platinum?

The InChIKey is SBIGIGCKTTXCBC-ZZTKMIAOSA-N. The full InChI is InChI=1S/C70H71N2O3.Pt/c1-41(2)55-37-48(43-18-14-13-15-19-43)38-56(42(3)4)61(55)54-27-26-52(63-66(54)75-67(72-63)62-64(73)58(69(8,9)10)40-57-53-20-16-17-21-60(53)74-65(57)62)49-34-50(36-51(35-49)68(5,6)7)59-39-47(30-33-71-59)45-24-22-44(23-25-45)46-28-31-70(11,12)32-29-46;/h13-27,30,33,35-42,46,73H,28-29,31-32H2,1-12H3;/q-1;/i46D;.

What are the key properties of 2-tert-butyl-4-[4-[3-tert-butyl-5-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-3-ol;platinum?

2-tert-butyl-4-[4-[3-tert-butyl-5-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-3-ol;platinum has a molecular weight of 1184.43 g/mol, XLogP of 20.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4-[4-[3-tert-butyl-5-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-7-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]dibenzofuran-3-ol;platinum is sourced from PubChem (CID 171468431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).