deuterium monohydride;2-[4-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum

C44H39N4OPt- — CID 159670706

About deuterium monohydride;2-[4-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum

deuterium monohydride;2-[4-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum (PubChem CID 159670706) has the molecular formula C44H39N4OPt- and a molecular weight of 835.91 g/mol. Its IUPAC name is deuterium monohydride;2-[4-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: deuterium monohydride;2-[4-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
• PubChem CID: 159670706
• Molecular Formula: C44H39N4OPt-
• Molecular Weight: 835.91 g/mol
• Exact Mass: 835.28
• IUPAC Name: deuterium monohydride;2-[4-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)ccc2)nc2ccccc21.[H][2H].[Pt]
• InChI: InChI=1S/C44H37N4O.Pt.H2/c1-28(2)33-20-13-21-34(29(3)4)42(33)48-38-24-10-9-23-37(38)45-43(48)31-16-12-15-30(27-31)35-22-14-25-39-41(35)46-44(36-19-8-11-26-40(36)49)47(39)32-17-6-5-7-18-32;;/h5-26,28-29,49H,1-4H3;;1H/q-1;;/i;;1+1
• InChIKey: KXOGZFHJYZAPJI-FCHARDOESA-N
• XLogP: 11.36
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	835.91
LogP ≤ 5	11.36
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 deuterium monohydride;2-[4-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum?

The IUPAC name of deuterium monohydride;2-[4-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum (CID 159670706) is deuterium monohydride;2-[4-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for deuterium monohydride;2-[4-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum?

The canonical SMILES for deuterium monohydride;2-[4-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum is CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)ccc2)nc2ccccc21.[H][2H].[Pt].

What is the InChIKey of deuterium monohydride;2-[4-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum?

The InChIKey is KXOGZFHJYZAPJI-FCHARDOESA-N. The full InChI is InChI=1S/C44H37N4O.Pt.H2/c1-28(2)33-20-13-21-34(29(3)4)42(33)48-38-24-10-9-23-37(38)45-43(48)31-16-12-15-30(27-31)35-22-14-25-39-41(35)46-44(36-19-8-11-26-40(36)49)47(39)32-17-6-5-7-18-32;;/h5-26,28-29,49H,1-4H3;;1H/q-1;;/i;;1+1.

What are the key properties of deuterium monohydride;2-[4-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum?

deuterium monohydride;2-[4-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum has a molecular weight of 835.91 g/mol, XLogP of 11.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for deuterium monohydride;2-[4-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 159670706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).