2-[4-[3-[3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol;platinum(2+)

C49H54N4OPt — CID 162491955

About 2-[4-[3-[3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol;platinum(2+)

2-[4-[3-[3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol;platinum(2+) (PubChem CID 162491955) has the molecular formula C49H54N4OPt and a molecular weight of 910.08 g/mol. Its IUPAC name is 2-[4-[3-[3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol;platinum(2+).

Molecular Properties

• Compound Name: 2-[4-[3-[3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol;platinum(2+)
• PubChem CID: 162491955
• Molecular Formula: C49H54N4OPt
• Molecular Weight: 910.08 g/mol
• Exact Mass: 909.39
• IUPAC Name: 2-[4-[3-[3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol;platinum(2+)
• SMILES: CC(C)c1cc(C(C)C)c(-n2cc(-c3[c-]c(N4[CH-]N(c5c(C(C)C)cccc5C(C)C)c5ccccc54)ccc3)nc2-c2ccccc2O)c(C(C)C)c1.[Pt+2]
• InChI: InChI=1S/C49H54N4O.Pt/c1-30(2)36-26-41(33(7)8)48(42(27-36)34(9)10)51-28-43(50-49(51)40-19-11-14-24-46(40)54)35-17-15-18-37(25-35)52-29-53(45-23-13-12-22-44(45)52)47-38(31(3)4)20-16-21-39(47)32(5)6;/h11-24,26-34,54H,1-10H3;/q-2;+2
• InChIKey: AOXUTPYAGSIPJD-UHFFFAOYSA-N
• XLogP: 13.74
• TPSA: 44.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	910.08
LogP ≤ 5	13.74
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-[3-[3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol;platinum(2+)?

The IUPAC name of 2-[4-[3-[3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol;platinum(2+) (CID 162491955) is 2-[4-[3-[3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol;platinum(2+).

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

The canonical SMILES for 2-[4-[3-[3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol;platinum(2+) is CC(C)c1cc(C(C)C)c(-n2cc(-c3[c-]c(N4[CH-]N(c5c(C(C)C)cccc5C(C)C)c5ccccc54)ccc3)nc2-c2ccccc2O)c(C(C)C)c1.[Pt+2].

What is the InChIKey of 2-[4-[3-[3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol;platinum(2+)?

The InChIKey is AOXUTPYAGSIPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H54N4O.Pt/c1-30(2)36-26-41(33(7)8)48(42(27-36)34(9)10)51-28-43(50-49(51)40-19-11-14-24-46(40)54)35-17-15-18-37(25-35)52-29-53(45-23-13-12-22-44(45)52)47-38(31(3)4)20-16-21-39(47)32(5)6;/h11-24,26-34,54H,1-10H3;/q-2;+2.

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

2-[4-[3-[3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol;platinum(2+) has a molecular weight of 910.08 g/mol, XLogP of 13.74, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol;platinum(2+) is sourced from PubChem (CID 162491955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).