2,4-ditert-butyl-6-[4-[8-[4-(4,4-dimethylcyclohexyl)-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum

C50H49N2O3Pt- — CID 164772165

About 2,4-ditert-butyl-6-[4-[8-[4-(4,4-dimethylcyclohexyl)-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[4-[8-[4-(4,4-dimethylcyclohexyl)-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum (PubChem CID 164772165) has the molecular formula C50H49N2O3Pt- and a molecular weight of 921.03 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[8-[4-(4,4-dimethylcyclohexyl)-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[8-[4-(4,4-dimethylcyclohexyl)-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum
• PubChem CID: 164772165
• Molecular Formula: C50H49N2O3Pt-
• Molecular Weight: 921.03 g/mol
• Exact Mass: 920.34
• IUPAC Name: 2,4-ditert-butyl-6-[4-[8-[4-(4,4-dimethylcyclohexyl)-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum
• SMILES: CC1(C)CCC(c2ccnc(-c3[c-]c(-c4cccc5oc(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6O)nc45)c4oc5c6ccccc6ccc5c4c3)c2)CC1.[Pt]
• InChI: InChI=1S/C50H49N2O3.Pt/c1-48(2,3)33-27-39(44(53)40(28-33)49(4,5)6)47-52-43-35(14-11-15-42(43)54-47)37-24-32(41-26-31(20-23-51-41)29-18-21-50(7,8)22-19-29)25-38-36-17-16-30-12-9-10-13-34(30)45(36)55-46(37)38;/h9-17,20,23,25-29,53H,18-19,21-22H2,1-8H3;/q-1
• InChIKey: RDMIUDXFQLJRQB-UHFFFAOYSA-N
• XLogP: 14.06
• TPSA: 72.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.03
LogP ≤ 5	14.06
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-ditert-butyl-6-[4-[8-[4-(4,4-dimethylcyclohexyl)-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[4-[8-[4-(4,4-dimethylcyclohexyl)-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum (CID 164772165) is 2,4-ditert-butyl-6-[4-[8-[4-(4,4-dimethylcyclohexyl)-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[4-[8-[4-(4,4-dimethylcyclohexyl)-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[4-[8-[4-(4,4-dimethylcyclohexyl)-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum is CC1(C)CCC(c2ccnc(-c3[c-]c(-c4cccc5oc(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6O)nc45)c4oc5c6ccccc6ccc5c4c3)c2)CC1.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[4-[8-[4-(4,4-dimethylcyclohexyl)-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

The InChIKey is RDMIUDXFQLJRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H49N2O3.Pt/c1-48(2,3)33-27-39(44(53)40(28-33)49(4,5)6)47-52-43-35(14-11-15-42(43)54-47)37-24-32(41-26-31(20-23-51-41)29-18-21-50(7,8)22-19-29)25-38-36-17-16-30-12-9-10-13-34(30)45(36)55-46(37)38;/h9-17,20,23,25-29,53H,18-19,21-22H2,1-8H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[4-[8-[4-(4,4-dimethylcyclohexyl)-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[4-[8-[4-(4,4-dimethylcyclohexyl)-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum has a molecular weight of 921.03 g/mol, XLogP of 14.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[4-[8-[4-(4,4-dimethylcyclohexyl)-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum is sourced from PubChem (CID 164772165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).