2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]oxy-6-(phenoxy)pyridine;N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-6-(phenoxy)-N-phenylpyridin-2-amine;2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]sulfanyl-6-(phenoxy)pyridine;[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]benzene-2-id-1-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+))

C128H102BN13O5Pt4S — CID 158023044

IUPAC2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]oxy-6-(phenoxy)pyridine;N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-6-(phenoxy)-N-phenylpyridin-2-amine;2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]sulfanyl-6-(phenoxy)pyridine;[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]benzene-2-id-1-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+))
SMILESCC(C)c1cccc(C(C)C)c1-n1cnc(-c2[c-]c(B(c3[c-]c(Oc4ccccn4)ccc3)c3ccccc3)ccc2)c1.Cc1cccc(C)c1-n1cnc(-c2[c-]c(N(c3ccccc3)c3cccc(Oc4[c-]cccc4)n3)ccc2)c1.Cc1cccc(C)c1-n1cnc(-c2[c-]c(Oc3cccc(Oc4[c-]cccc4)n3)ccc2)c1.Cc1cccc(C)c1-n1cnc(-c2[c-]c(Sc3cccc(Oc4[c-]cccc4)n3)ccc2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C38H34BN3O.C34H26N4O.C28H21N3O2.C28H21N3OS.4Pt/c1-27(2)34-19-12-20-35(28(3)4)38(34)42-25-36(41-26-42)29-13-10-16-31(23-29)39(30-14-6-5-7-15-30)32-17-11-18-33(24-32)43-37-21-8-9-22-40-37;1-25-12-9-13-26(2)34(25)37-23-31(35-24-37)27-14-10-17-29(22-27)38(28-15-5-3-6-16-28)32-20-11-21-33(36-32)39-30-18-7-4-8-19-30;2*1-20-9-6-10-21(2)28(20)31-18-25(29-19-31)22-11-7-14-24(17-22)33-27-16-8-15-26(30-27)32-23-12-4-3-5-13-23;;;;/h5-22,25-28H,1-4H3;3-18,20-21,23-24H,1-2H3;2*3-12,14-16,18-19H,1-2H3;;;;/q4*-2;4*+2
InChIKeyITKAQGCGQKKLKR-UHFFFAOYSA-N
MW2725.50 g/mol
LogP29.32
Rot. Bonds28

About 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]oxy-6-(phenoxy)pyridine;N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-6-(phenoxy)-N-phenylpyridin-2-amine;2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]sulfanyl-6-(phenoxy)pyridine;[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]benzene-2-id-1-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+))

2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]oxy-6-(phenoxy)pyridine;N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-6-(phenoxy)-N-phenylpyridin-2-amine;2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]sulfanyl-6-(phenoxy)pyridine;[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]benzene-2-id-1-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+)) (PubChem CID 158023044) has the molecular formula C128H102BN13O5Pt4S and a molecular weight of 2725.50 g/mol. Its IUPAC name is 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]oxy-6-(phenoxy)pyridine;N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-6-(phenoxy)-N-phenylpyridin-2-amine;2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]sulfanyl-6-(phenoxy)pyridine;[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]benzene-2-id-1-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+)).

Molecular Properties

Compound Name2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]oxy-6-(phenoxy)pyridine;N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-6-(phenoxy)-N-phenylpyridin-2-amine;2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]sulfanyl-6-(phenoxy)pyridine;[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]benzene-2-id-1-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+))
PubChem CID158023044
Molecular FormulaC128H102BN13O5Pt4S
Molecular Weight2725.50 g/mol
Exact Mass2723.65
IUPAC Name2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]oxy-6-(phenoxy)pyridine;N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-6-(phenoxy)-N-phenylpyridin-2-amine;2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]sulfanyl-6-(phenoxy)pyridine;[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]benzene-2-id-1-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+))
SMILESCC(C)c1cccc(C(C)C)c1-n1cnc(-c2[c-]c(B(c3[c-]c(Oc4ccccn4)ccc3)c3ccccc3)ccc2)c1.Cc1cccc(C)c1-n1cnc(-c2[c-]c(N(c3ccccc3)c3cccc(Oc4[c-]cccc4)n3)ccc2)c1.Cc1cccc(C)c1-n1cnc(-c2[c-]c(Oc3cccc(Oc4[c-]cccc4)n3)ccc2)c1.Cc1cccc(C)c1-n1cnc(-c2[c-]c(Sc3cccc(Oc4[c-]cccc4)n3)ccc2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C38H34BN3O.C34H26N4O.C28H21N3O2.C28H21N3OS.4Pt/c1-27(2)34-19-12-20-35(28(3)4)38(34)42-25-36(41-26-42)29-13-10-16-31(23-29)39(30-14-6-5-7-15-30)32-17-11-18-33(24-32)43-37-21-8-9-22-40-37;1-25-12-9-13-26(2)34(25)37-23-31(35-24-37)27-14-10-17-29(22-27)38(28-15-5-3-6-16-28)32-20-11-21-33(36-32)39-30-18-7-4-8-19-30;2*1-20-9-6-10-21(2)28(20)31-18-25(29-19-31)22-11-7-14-24(17-22)33-27-16-8-15-26(30-27)32-23-12-4-3-5-13-23;;;;/h5-22,25-28H,1-4H3;3-18,20-21,23-24H,1-2H3;2*3-12,14-16,18-19H,1-2H3;;;;/q4*-2;4*+2
InChIKeyITKAQGCGQKKLKR-UHFFFAOYSA-N
XLogP29.32
TPSA172.23 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms152
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002725.50
LogP ≤ 529.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]oxy-6-(phenoxy)pyridine;N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-6-(phenoxy)-N-phenylpyridin-2-amine;2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]sulfanyl-6-(phenoxy)pyridine;[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]benzene-2-id-1-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]oxy-6-(phenoxy)pyridine;N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-6-(phenoxy)-N-phenylpyridin-2-amine;2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]sulfanyl-6-(phenoxy)pyridine;[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]benzene-2-id-1-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+))?
The IUPAC name of 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]oxy-6-(phenoxy)pyridine;N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-6-(phenoxy)-N-phenylpyridin-2-amine;2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]sulfanyl-6-(phenoxy)pyridine;[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]benzene-2-id-1-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+)) (CID 158023044) is 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]oxy-6-(phenoxy)pyridine;N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-6-(phenoxy)-N-phenylpyridin-2-amine;2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]sulfanyl-6-(phenoxy)pyridine;[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]benzene-2-id-1-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+)).
What is the SMILES notation for 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]oxy-6-(phenoxy)pyridine;N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-6-(phenoxy)-N-phenylpyridin-2-amine;2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]sulfanyl-6-(phenoxy)pyridine;[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]benzene-2-id-1-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+))?
The canonical SMILES for 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]oxy-6-(phenoxy)pyridine;N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-6-(phenoxy)-N-phenylpyridin-2-amine;2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]sulfanyl-6-(phenoxy)pyridine;[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]benzene-2-id-1-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+)) is CC(C)c1cccc(C(C)C)c1-n1cnc(-c2[c-]c(B(c3[c-]c(Oc4ccccn4)ccc3)c3ccccc3)ccc2)c1.Cc1cccc(C)c1-n1cnc(-c2[c-]c(N(c3ccccc3)c3cccc(Oc4[c-]cccc4)n3)ccc2)c1.Cc1cccc(C)c1-n1cnc(-c2[c-]c(Oc3cccc(Oc4[c-]cccc4)n3)ccc2)c1.Cc1cccc(C)c1-n1cnc(-c2[c-]c(Sc3cccc(Oc4[c-]cccc4)n3)ccc2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]oxy-6-(phenoxy)pyridine;N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-6-(phenoxy)-N-phenylpyridin-2-amine;2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]sulfanyl-6-(phenoxy)pyridine;[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]benzene-2-id-1-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+))?
The InChIKey is ITKAQGCGQKKLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34BN3O.C34H26N4O.C28H21N3O2.C28H21N3OS.4Pt/c1-27(2)34-19-12-20-35(28(3)4)38(34)42-25-36(41-26-42)29-13-10-16-31(23-29)39(30-14-6-5-7-15-30)32-17-11-18-33(24-32)43-37-21-8-9-22-40-37;1-25-12-9-13-26(2)34(25)37-23-31(35-24-37)27-14-10-17-29(22-27)38(28-15-5-3-6-16-28)32-20-11-21-33(36-32)39-30-18-7-4-8-19-30;2*1-20-9-6-10-21(2)28(20)31-18-25(29-19-31)22-11-7-14-24(17-22)33-27-16-8-15-26(30-27)32-23-12-4-3-5-13-23;;;;/h5-22,25-28H,1-4H3;3-18,20-21,23-24H,1-2H3;2*3-12,14-16,18-19H,1-2H3;;;;/q4*-2;4*+2.
What are the key properties of 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]oxy-6-(phenoxy)pyridine;N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-6-(phenoxy)-N-phenylpyridin-2-amine;2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]sulfanyl-6-(phenoxy)pyridine;[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]benzene-2-id-1-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+))?
2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]oxy-6-(phenoxy)pyridine;N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-6-(phenoxy)-N-phenylpyridin-2-amine;2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]sulfanyl-6-(phenoxy)pyridine;[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]benzene-2-id-1-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+)) has a molecular weight of 2725.50 g/mol, XLogP of 29.32, 28 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]oxy-6-(phenoxy)pyridine;N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-6-(phenoxy)-N-phenylpyridin-2-amine;2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]sulfanyl-6-(phenoxy)pyridine;[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]benzene-2-id-1-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+)) is sourced from PubChem (CID 158023044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).