4,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-triphenylsilylpyrimidine-5-carbonitrile

C49H31N9Si — CID 171722999

IUPAC4,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-triphenylsilylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-n2c3ccccc3n3c4ccccc4nc23)nc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)nc1-n1c2ccccc2n2c3ccccc3nc12
InChIInChI=1S/C49H31N9Si/c50-32-36-45(57-43-30-16-14-28-41(43)55-39-26-12-10-24-37(39)51-48(55)57)53-47(59(33-18-4-1-5-19-33,34-20-6-2-7-21-34)35-22-8-3-9-23-35)54-46(36)58-44-31-17-15-29-42(44)56-40-27-13-11-25-38(40)52-49(56)58/h1-31H
InChIKeyMHVBMJXZWUFXCQ-UHFFFAOYSA-N
MW773.94 g/mol
LogP7.22
Rot. Bonds6

About 4,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-triphenylsilylpyrimidine-5-carbonitrile

4,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-triphenylsilylpyrimidine-5-carbonitrile (PubChem CID 171722999) has the molecular formula C49H31N9Si and a molecular weight of 773.94 g/mol. Its IUPAC name is 4,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-triphenylsilylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-triphenylsilylpyrimidine-5-carbonitrile
PubChem CID171722999
Molecular FormulaC49H31N9Si
Molecular Weight773.94 g/mol
Exact Mass773.25
IUPAC Name4,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-triphenylsilylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-n2c3ccccc3n3c4ccccc4nc23)nc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)nc1-n1c2ccccc2n2c3ccccc3nc12
InChIInChI=1S/C49H31N9Si/c50-32-36-45(57-43-30-16-14-28-41(43)55-39-26-12-10-24-37(39)51-48(55)57)53-47(59(33-18-4-1-5-19-33,34-20-6-2-7-21-34)35-22-8-3-9-23-35)54-46(36)58-44-31-17-15-29-42(44)56-40-27-13-11-25-38(40)52-49(56)58/h1-31H
InChIKeyMHVBMJXZWUFXCQ-UHFFFAOYSA-N
XLogP7.22
TPSA94.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.94
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-triphenylsilylpyrimidine-5-carbonitrile 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

2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile
CID 122592030
bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462912
3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)benzonitrile
CID 122546141
9-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]carbazole-3-carbonitrile
CID 168826513
[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
11-(benzimidazolo[1,2-a]benzimidazol-5-yl)tetraphenylene-2-carbonitrile
CID 140920414
5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
[3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405556
17-(3-cyanophenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene-4-carbonitrile
CID 122546268
2,6-bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]benzonitrile;ethane
CID 145162378
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 169077493
5-(2-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 122468410

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-triphenylsilylpyrimidine-5-carbonitrile?
The IUPAC name of 4,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-triphenylsilylpyrimidine-5-carbonitrile (CID 171722999) is 4,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-triphenylsilylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-triphenylsilylpyrimidine-5-carbonitrile?
The canonical SMILES for 4,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-triphenylsilylpyrimidine-5-carbonitrile is N#Cc1c(-n2c3ccccc3n3c4ccccc4nc23)nc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)nc1-n1c2ccccc2n2c3ccccc3nc12.
What is the InChIKey of 4,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-triphenylsilylpyrimidine-5-carbonitrile?
The InChIKey is MHVBMJXZWUFXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N9Si/c50-32-36-45(57-43-30-16-14-28-41(43)55-39-26-12-10-24-37(39)51-48(55)57)53-47(59(33-18-4-1-5-19-33,34-20-6-2-7-21-34)35-22-8-3-9-23-35)54-46(36)58-44-31-17-15-29-42(44)56-40-27-13-11-25-38(40)52-49(56)58/h1-31H.
What are the key properties of 4,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-triphenylsilylpyrimidine-5-carbonitrile?
4,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-triphenylsilylpyrimidine-5-carbonitrile has a molecular weight of 773.94 g/mol, XLogP of 7.22, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-triphenylsilylpyrimidine-5-carbonitrile is sourced from PubChem (CID 171722999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).