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

C52H58N4O2Pt — CID 176843397

IUPAC2-(2,3-dihydrobenzimidazol-2-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]phenol;4-[2,6-di(propan-2-yl)phenyl]-2-(3-ethyl-2H-benzimidazol-2-id-1-yl)phenol;platinum(2+)
SMILESCC(C)c1cccc(C(C)C)c1-c1ccc(O)c(N2[CH-]Nc3ccccc32)c1.CCN1[CH-]N(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2O)c2ccccc21.[Pt+2]
InChIInChI=1S/C27H31N2O.C25H27N2O.Pt/c1-6-28-17-29(24-13-8-7-12-23(24)28)25-16-20(14-15-26(25)30)27-21(18(2)3)10-9-11-22(27)19(4)5;1-16(2)19-8-7-9-20(17(3)4)25(19)18-12-13-24(28)23(14-18)27-15-26-21-10-5-6-11-22(21)27;/h7-19,30H,6H2,1-5H3;5-17,26,28H,1-4H3;/q2*-1;+2
InChIKeyFMEWWJJVAHNMES-UHFFFAOYSA-N
MW966.14 g/mol
LogP14.39
Rot. Bonds9

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

2-(2,3-dihydrobenzimidazol-2-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]phenol;4-[2,6-di(propan-2-yl)phenyl]-2-(3-ethyl-2H-benzimidazol-2-id-1-yl)phenol;platinum(2+) (PubChem CID 176843397) has the molecular formula C52H58N4O2Pt and a molecular weight of 966.14 g/mol. Its IUPAC name is 2-(2,3-dihydrobenzimidazol-2-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]phenol;4-[2,6-di(propan-2-yl)phenyl]-2-(3-ethyl-2H-benzimidazol-2-id-1-yl)phenol;platinum(2+).

Molecular Properties

Compound Name2-(2,3-dihydrobenzimidazol-2-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]phenol;4-[2,6-di(propan-2-yl)phenyl]-2-(3-ethyl-2H-benzimidazol-2-id-1-yl)phenol;platinum(2+)
PubChem CID176843397
Molecular FormulaC52H58N4O2Pt
Molecular Weight966.14 g/mol
Exact Mass965.42
IUPAC Name2-(2,3-dihydrobenzimidazol-2-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]phenol;4-[2,6-di(propan-2-yl)phenyl]-2-(3-ethyl-2H-benzimidazol-2-id-1-yl)phenol;platinum(2+)
SMILESCC(C)c1cccc(C(C)C)c1-c1ccc(O)c(N2[CH-]Nc3ccccc32)c1.CCN1[CH-]N(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2O)c2ccccc21.[Pt+2]
InChIInChI=1S/C27H31N2O.C25H27N2O.Pt/c1-6-28-17-29(24-13-8-7-12-23(24)28)25-16-20(14-15-26(25)30)27-21(18(2)3)10-9-11-22(27)19(4)5;1-16(2)19-8-7-9-20(17(3)4)25(19)18-12-13-24(28)23(14-18)27-15-26-21-10-5-6-11-22(21)27;/h7-19,30H,6H2,1-5H3;5-17,26,28H,1-4H3;/q2*-1;+2
InChIKeyFMEWWJJVAHNMES-UHFFFAOYSA-N
XLogP14.39
TPSA62.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.14
LogP ≤ 514.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrobenzimidazol-2-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]phenol;4-[2,6-di(propan-2-yl)phenyl]-2-(3-ethyl-2H-benzimidazol-2-id-1-yl)phenol;platinum(2+)?
The IUPAC name of 2-(2,3-dihydrobenzimidazol-2-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]phenol;4-[2,6-di(propan-2-yl)phenyl]-2-(3-ethyl-2H-benzimidazol-2-id-1-yl)phenol;platinum(2+) (CID 176843397) is 2-(2,3-dihydrobenzimidazol-2-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]phenol;4-[2,6-di(propan-2-yl)phenyl]-2-(3-ethyl-2H-benzimidazol-2-id-1-yl)phenol;platinum(2+).
What is the SMILES notation for 2-(2,3-dihydrobenzimidazol-2-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]phenol;4-[2,6-di(propan-2-yl)phenyl]-2-(3-ethyl-2H-benzimidazol-2-id-1-yl)phenol;platinum(2+)?
The canonical SMILES for 2-(2,3-dihydrobenzimidazol-2-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]phenol;4-[2,6-di(propan-2-yl)phenyl]-2-(3-ethyl-2H-benzimidazol-2-id-1-yl)phenol;platinum(2+) is CC(C)c1cccc(C(C)C)c1-c1ccc(O)c(N2[CH-]Nc3ccccc32)c1.CCN1[CH-]N(c2cc(-c3c(C(C)C)cccc3C(C)C)ccc2O)c2ccccc21.[Pt+2].
What is the InChIKey of 2-(2,3-dihydrobenzimidazol-2-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]phenol;4-[2,6-di(propan-2-yl)phenyl]-2-(3-ethyl-2H-benzimidazol-2-id-1-yl)phenol;platinum(2+)?
The InChIKey is FMEWWJJVAHNMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N2O.C25H27N2O.Pt/c1-6-28-17-29(24-13-8-7-12-23(24)28)25-16-20(14-15-26(25)30)27-21(18(2)3)10-9-11-22(27)19(4)5;1-16(2)19-8-7-9-20(17(3)4)25(19)18-12-13-24(28)23(14-18)27-15-26-21-10-5-6-11-22(21)27;/h7-19,30H,6H2,1-5H3;5-17,26,28H,1-4H3;/q2*-1;+2.
What are the key properties of 2-(2,3-dihydrobenzimidazol-2-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]phenol;4-[2,6-di(propan-2-yl)phenyl]-2-(3-ethyl-2H-benzimidazol-2-id-1-yl)phenol;platinum(2+)?
2-(2,3-dihydrobenzimidazol-2-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]phenol;4-[2,6-di(propan-2-yl)phenyl]-2-(3-ethyl-2H-benzimidazol-2-id-1-yl)phenol;platinum(2+) has a molecular weight of 966.14 g/mol, XLogP of 14.39, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrobenzimidazol-2-id-1-yl)-4-[2,6-di(propan-2-yl)phenyl]phenol;4-[2,6-di(propan-2-yl)phenyl]-2-(3-ethyl-2H-benzimidazol-2-id-1-yl)phenol;platinum(2+) is sourced from PubChem (CID 176843397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).