1-methyl-2-[3-[3-(1-methylbenzimidazol-2-yl)-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+)

C40H28N4OPt — CID 153428794

IUPAC1-methyl-2-[3-[3-(1-methylbenzimidazol-2-yl)-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+)
SMILESCn1c(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4C)cc(-c4ccccc4)c3)cc(-c3ccccc3)c2)nc2ccccc21.[Pt+2]
InChIInChI=1S/C40H28N4O.Pt/c1-43-37-19-11-9-17-35(37)41-39(43)31-21-29(27-13-5-3-6-14-27)23-33(25-31)45-34-24-30(28-15-7-4-8-16-28)22-32(26-34)40-42-36-18-10-12-20-38(36)44(40)2;/h3-24H,1-2H3;/q-2;+2
InChIKeyGYCMYADJHUKZOJ-UHFFFAOYSA-N
MW775.77 g/mol
LogP9.52
Rot. Bonds6

About 1-methyl-2-[3-[3-(1-methylbenzimidazol-2-yl)-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+)

1-methyl-2-[3-[3-(1-methylbenzimidazol-2-yl)-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+) (PubChem CID 153428794) has the molecular formula C40H28N4OPt and a molecular weight of 775.77 g/mol. Its IUPAC name is 1-methyl-2-[3-[3-(1-methylbenzimidazol-2-yl)-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+).

Molecular Properties

Compound Name1-methyl-2-[3-[3-(1-methylbenzimidazol-2-yl)-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+)
PubChem CID153428794
Molecular FormulaC40H28N4OPt
Molecular Weight775.77 g/mol
Exact Mass775.19
IUPAC Name1-methyl-2-[3-[3-(1-methylbenzimidazol-2-yl)-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+)
SMILESCn1c(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4C)cc(-c4ccccc4)c3)cc(-c3ccccc3)c2)nc2ccccc21.[Pt+2]
InChIInChI=1S/C40H28N4O.Pt/c1-43-37-19-11-9-17-35(37)41-39(43)31-21-29(27-13-5-3-6-14-27)23-33(25-31)45-34-24-30(28-15-7-4-8-16-28)22-32(26-34)40-42-36-18-10-12-20-38(36)44(40)2;/h3-24H,1-2H3;/q-2;+2
InChIKeyGYCMYADJHUKZOJ-UHFFFAOYSA-N
XLogP9.52
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.77
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Benzimidazolium, tris(1-dodecyl-3-methyl-2-phenyl-, ferricyanide
CID 81692
1H-Benzimidazole, 1,1'-(1,4-piperazinediylbis(methylene))bis(2-phenyl-
CID 3056025
2-[3,5-Bis(1-methylbenzimidazol-2-yl)phenyl]-1-methylbenzimidazole
CID 59342697
2,2'-Bis(1-ethylbenzimidazol-2-yl)biphenyl
CID 18345771
1-Methyl-2-[4-(1-methylbenzimidazol-2-yl)phenyl]benzimidazole
CID 102198978
2-[7-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]oxy-6H-1-benzofuran-6-id-5-yl]-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzimidazole;platinum(2+)
CID 177293663
6-[1-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-6-(1,1,1-trifluoropropan-2-yl)benzimidazol-2-yl]-8-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]oxy-7H-quinazolin-7-ide;platinum(2+)
CID 177293830
N-benzyl-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
CID 10717181
1-Benzyl-2-[6-(1-benzylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole
CID 17863675
2,2'-([1,1'-Biphenyl]-2,2'-diyl)bis(1-propyl-1H-benzimidazole)
CID 71361521
Bis(n-methylbenzimidazolyl)benzene
CID 90689297
1,3-Bis(1-benzylbenzimidazol-2-yl)propan-2-one
CID 90752673

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-[3-(1-methylbenzimidazol-2-yl)-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+)?
The IUPAC name of 1-methyl-2-[3-[3-(1-methylbenzimidazol-2-yl)-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+) (CID 153428794) is 1-methyl-2-[3-[3-(1-methylbenzimidazol-2-yl)-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+).
What is the SMILES notation for 1-methyl-2-[3-[3-(1-methylbenzimidazol-2-yl)-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+)?
The canonical SMILES for 1-methyl-2-[3-[3-(1-methylbenzimidazol-2-yl)-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+) is Cn1c(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4C)cc(-c4ccccc4)c3)cc(-c3ccccc3)c2)nc2ccccc21.[Pt+2].
What is the InChIKey of 1-methyl-2-[3-[3-(1-methylbenzimidazol-2-yl)-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+)?
The InChIKey is GYCMYADJHUKZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4O.Pt/c1-43-37-19-11-9-17-35(37)41-39(43)31-21-29(27-13-5-3-6-14-27)23-33(25-31)45-34-24-30(28-15-7-4-8-16-28)22-32(26-34)40-42-36-18-10-12-20-38(36)44(40)2;/h3-24H,1-2H3;/q-2;+2.
What are the key properties of 1-methyl-2-[3-[3-(1-methylbenzimidazol-2-yl)-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+)?
1-methyl-2-[3-[3-(1-methylbenzimidazol-2-yl)-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+) has a molecular weight of 775.77 g/mol, XLogP of 9.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-[3-(1-methylbenzimidazol-2-yl)-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]benzimidazole;platinum(2+) is sourced from PubChem (CID 153428794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).