[3-[1-ethenyl-2-[(Z)-prop-1-enyl]imidazo[1,2-a]benzimidazol-4-yl]phenyl]-(3-methylphenyl)-diphenylsilane

C39H33N3Si — CID 174022105

IUPAC[3-[1-ethenyl-2-[(Z)-prop-1-enyl]imidazo[1,2-a]benzimidazol-4-yl]phenyl]-(3-methylphenyl)-diphenylsilane
SMILESC=Cc1c(/C=C\C)nc2n(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc(C)c4)c3)c3ccccc3n12
InChIInChI=1S/C39H33N3Si/c1-4-16-35-36(5-2)42-38-26-13-12-25-37(38)41(39(42)40-35)30-18-15-24-34(28-30)43(31-19-8-6-9-20-31,32-21-10-7-11-22-32)33-23-14-17-29(3)27-33/h4-28H,2H2,1,3H3/b16-4-
InChIKeyKTMNMCKQVJZTJL-XRVIQIRUSA-N
MW571.80 g/mol
LogP6.64
Rot. Bonds7

About [3-[1-ethenyl-2-[(Z)-prop-1-enyl]imidazo[1,2-a]benzimidazol-4-yl]phenyl]-(3-methylphenyl)-diphenylsilane

[3-[1-ethenyl-2-[(Z)-prop-1-enyl]imidazo[1,2-a]benzimidazol-4-yl]phenyl]-(3-methylphenyl)-diphenylsilane (PubChem CID 174022105) has the molecular formula C39H33N3Si and a molecular weight of 571.80 g/mol. Its IUPAC name is [3-[1-ethenyl-2-[(Z)-prop-1-enyl]imidazo[1,2-a]benzimidazol-4-yl]phenyl]-(3-methylphenyl)-diphenylsilane.

Molecular Properties

Compound Name[3-[1-ethenyl-2-[(Z)-prop-1-enyl]imidazo[1,2-a]benzimidazol-4-yl]phenyl]-(3-methylphenyl)-diphenylsilane
PubChem CID174022105
Molecular FormulaC39H33N3Si
Molecular Weight571.80 g/mol
Exact Mass571.24
IUPAC Name[3-[1-ethenyl-2-[(Z)-prop-1-enyl]imidazo[1,2-a]benzimidazol-4-yl]phenyl]-(3-methylphenyl)-diphenylsilane
SMILESC=Cc1c(/C=C\C)nc2n(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc(C)c4)c3)c3ccccc3n12
InChIInChI=1S/C39H33N3Si/c1-4-16-35-36(5-2)42-38-26-13-12-25-37(38)41(39(42)40-35)30-18-15-24-34(28-30)43(31-19-8-6-9-20-31,32-21-10-7-11-22-32)33-23-14-17-29(3)27-33/h4-28H,2H2,1,3H3/b16-4-
InChIKeyKTMNMCKQVJZTJL-XRVIQIRUSA-N
XLogP6.64
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.80
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [3-[1-ethenyl-2-[(Z)-prop-1-enyl]imidazo[1,2-a]benzimidazol-4-yl]phenyl]-(3-methylphenyl)-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]imidazo[1,2-a]benzimidazole
CID 134457642
bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462912
[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462949
[3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405556
(3-carbazol-9-ylphenyl)-triphenylsilane
CID 58926933
[6-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-4-yl]-triphenylsilane
CID 169290711
(3-carbazol-9-ylphenyl)-[3-[3-ethenyl-2-(2-methyl-1-benzofuran-3-yl)indol-1-yl]phenyl]-diphenylsilane
CID 174070566
3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene
CID 156574320
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 169077493
triphenyl-[3-[12-(3-triphenylsilylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]silane
CID 168792006
2-bromo-5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 126759349
[9-[4-[(E)-2-[4-(3-methylcarbazol-9-yl)phenyl]ethenyl]phenyl]carbazol-3-yl]-triphenylsilane
CID 159127596

Frequently Asked Questions

What is the IUPAC name of [3-[1-ethenyl-2-[(Z)-prop-1-enyl]imidazo[1,2-a]benzimidazol-4-yl]phenyl]-(3-methylphenyl)-diphenylsilane?
The IUPAC name of [3-[1-ethenyl-2-[(Z)-prop-1-enyl]imidazo[1,2-a]benzimidazol-4-yl]phenyl]-(3-methylphenyl)-diphenylsilane (CID 174022105) is [3-[1-ethenyl-2-[(Z)-prop-1-enyl]imidazo[1,2-a]benzimidazol-4-yl]phenyl]-(3-methylphenyl)-diphenylsilane.
What is the SMILES notation for [3-[1-ethenyl-2-[(Z)-prop-1-enyl]imidazo[1,2-a]benzimidazol-4-yl]phenyl]-(3-methylphenyl)-diphenylsilane?
The canonical SMILES for [3-[1-ethenyl-2-[(Z)-prop-1-enyl]imidazo[1,2-a]benzimidazol-4-yl]phenyl]-(3-methylphenyl)-diphenylsilane is C=Cc1c(/C=C\C)nc2n(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc(C)c4)c3)c3ccccc3n12.
What is the InChIKey of [3-[1-ethenyl-2-[(Z)-prop-1-enyl]imidazo[1,2-a]benzimidazol-4-yl]phenyl]-(3-methylphenyl)-diphenylsilane?
The InChIKey is KTMNMCKQVJZTJL-XRVIQIRUSA-N. The full InChI is InChI=1S/C39H33N3Si/c1-4-16-35-36(5-2)42-38-26-13-12-25-37(38)41(39(42)40-35)30-18-15-24-34(28-30)43(31-19-8-6-9-20-31,32-21-10-7-11-22-32)33-23-14-17-29(3)27-33/h4-28H,2H2,1,3H3/b16-4-.
What are the key properties of [3-[1-ethenyl-2-[(Z)-prop-1-enyl]imidazo[1,2-a]benzimidazol-4-yl]phenyl]-(3-methylphenyl)-diphenylsilane?
[3-[1-ethenyl-2-[(Z)-prop-1-enyl]imidazo[1,2-a]benzimidazol-4-yl]phenyl]-(3-methylphenyl)-diphenylsilane has a molecular weight of 571.80 g/mol, XLogP of 6.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-ethenyl-2-[(Z)-prop-1-enyl]imidazo[1,2-a]benzimidazol-4-yl]phenyl]-(3-methylphenyl)-diphenylsilane is sourced from PubChem (CID 174022105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).