3-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-4-ethenyl-1,2-dihydroimidazole;1-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-3-methyl-2H-benzimidazole;3-phenylpyrazol-2-ide;platinum(4+)

C50H46N6Pt — CID 162463162

IUPAC3-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-4-ethenyl-1,2-dihydroimidazole;1-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-3-methyl-2H-benzimidazole;3-phenylpyrazol-2-ide;platinum(4+)
SMILESC=CC1=CNCN1c1[c-]cc(C)c(-c2ccccc2)c1C.Cc1c[c-]c(N2CN(C)c3ccccc32)c(C)c1-c1ccccc1.[Pt+4].[c-]1ccccc1-c1ccn[n-]1
InChIInChI=1S/C22H21N2.C19H19N2.C9H6N2.Pt/c1-16-13-14-19(17(2)22(16)18-9-5-4-6-10-18)24-15-23(3)20-11-7-8-12-21(20)24;1-4-17-12-20-13-21(17)18-11-10-14(2)19(15(18)3)16-8-6-5-7-9-16;1-2-4-8(5-3-1)9-6-7-10-11-9;/h4-13H,15H2,1-3H3;4-10,12,20H,1,13H2,2-3H3;1-4,6-7H;/q2*-1;-2;+4
InChIKeyNJUCGHZUMFHNKG-UHFFFAOYSA-N
MW926.04 g/mol
LogP10.98
Rot. Bonds6

About 3-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-4-ethenyl-1,2-dihydroimidazole;1-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-3-methyl-2H-benzimidazole;3-phenylpyrazol-2-ide;platinum(4+)

3-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-4-ethenyl-1,2-dihydroimidazole;1-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-3-methyl-2H-benzimidazole;3-phenylpyrazol-2-ide;platinum(4+) (PubChem CID 162463162) has the molecular formula C50H46N6Pt and a molecular weight of 926.04 g/mol. Its IUPAC name is 3-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-4-ethenyl-1,2-dihydroimidazole;1-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-3-methyl-2H-benzimidazole;3-phenylpyrazol-2-ide;platinum(4+).

Molecular Properties

Compound Name3-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-4-ethenyl-1,2-dihydroimidazole;1-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-3-methyl-2H-benzimidazole;3-phenylpyrazol-2-ide;platinum(4+)
PubChem CID162463162
Molecular FormulaC50H46N6Pt
Molecular Weight926.04 g/mol
Exact Mass925.34
IUPAC Name3-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-4-ethenyl-1,2-dihydroimidazole;1-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-3-methyl-2H-benzimidazole;3-phenylpyrazol-2-ide;platinum(4+)
SMILESC=CC1=CNCN1c1[c-]cc(C)c(-c2ccccc2)c1C.Cc1c[c-]c(N2CN(C)c3ccccc32)c(C)c1-c1ccccc1.[Pt+4].[c-]1ccccc1-c1ccn[n-]1
InChIInChI=1S/C22H21N2.C19H19N2.C9H6N2.Pt/c1-16-13-14-19(17(2)22(16)18-9-5-4-6-10-18)24-15-23(3)20-11-7-8-12-21(20)24;1-4-17-12-20-13-21(17)18-11-10-14(2)19(15(18)3)16-8-6-5-7-9-16;1-2-4-8(5-3-1)9-6-7-10-11-9;/h4-13H,15H2,1-3H3;4-10,12,20H,1,13H2,2-3H3;1-4,6-7H;/q2*-1;-2;+4
InChIKeyNJUCGHZUMFHNKG-UHFFFAOYSA-N
XLogP10.98
TPSA48.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.04
LogP ≤ 510.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-4-ethenyl-1,2-dihydroimidazole;1-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-3-methyl-2H-benzimidazole;3-phenylpyrazol-2-ide;platinum(4+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-4-ethenyl-1,2-dihydroimidazole;1-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-3-methyl-2H-benzimidazole;3-phenylpyrazol-2-ide;platinum(4+)?
The IUPAC name of 3-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-4-ethenyl-1,2-dihydroimidazole;1-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-3-methyl-2H-benzimidazole;3-phenylpyrazol-2-ide;platinum(4+) (CID 162463162) is 3-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-4-ethenyl-1,2-dihydroimidazole;1-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-3-methyl-2H-benzimidazole;3-phenylpyrazol-2-ide;platinum(4+).
What is the SMILES notation for 3-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-4-ethenyl-1,2-dihydroimidazole;1-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-3-methyl-2H-benzimidazole;3-phenylpyrazol-2-ide;platinum(4+)?
The canonical SMILES for 3-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-4-ethenyl-1,2-dihydroimidazole;1-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-3-methyl-2H-benzimidazole;3-phenylpyrazol-2-ide;platinum(4+) is C=CC1=CNCN1c1[c-]cc(C)c(-c2ccccc2)c1C.Cc1c[c-]c(N2CN(C)c3ccccc32)c(C)c1-c1ccccc1.[Pt+4].[c-]1ccccc1-c1ccn[n-]1.
What is the InChIKey of 3-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-4-ethenyl-1,2-dihydroimidazole;1-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-3-methyl-2H-benzimidazole;3-phenylpyrazol-2-ide;platinum(4+)?
The InChIKey is NJUCGHZUMFHNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N2.C19H19N2.C9H6N2.Pt/c1-16-13-14-19(17(2)22(16)18-9-5-4-6-10-18)24-15-23(3)20-11-7-8-12-21(20)24;1-4-17-12-20-13-21(17)18-11-10-14(2)19(15(18)3)16-8-6-5-7-9-16;1-2-4-8(5-3-1)9-6-7-10-11-9;/h4-13H,15H2,1-3H3;4-10,12,20H,1,13H2,2-3H3;1-4,6-7H;/q2*-1;-2;+4.
What are the key properties of 3-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-4-ethenyl-1,2-dihydroimidazole;1-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-3-methyl-2H-benzimidazole;3-phenylpyrazol-2-ide;platinum(4+)?
3-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-4-ethenyl-1,2-dihydroimidazole;1-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-3-methyl-2H-benzimidazole;3-phenylpyrazol-2-ide;platinum(4+) has a molecular weight of 926.04 g/mol, XLogP of 10.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-4-ethenyl-1,2-dihydroimidazole;1-(2,4-dimethyl-3-phenylbenzene-6-id-1-yl)-3-methyl-2H-benzimidazole;3-phenylpyrazol-2-ide;platinum(4+) is sourced from PubChem (CID 162463162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).