8-methyl-7-[4-(2,4,5-triphenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole

C44H30N2S — CID 140947817

IUPAC8-methyl-7-[4-(2,4,5-triphenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole
SMILESCc1ccc2c(nc3sc4ccccc4n32)c1-c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C44H30N2S/c1-29-21-26-40-43(45-44-46(40)39-19-11-12-20-41(39)47-44)42(29)34-24-22-33(23-25-34)38-28-36(31-15-7-3-8-16-31)35(30-13-5-2-6-14-30)27-37(38)32-17-9-4-10-18-32/h2-28H,1H3
InChIKeyFFAHWBRECLTUKT-UHFFFAOYSA-N
MW618.81 g/mol
LogP12.35
Rot. Bonds5

About 8-methyl-7-[4-(2,4,5-triphenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole

8-methyl-7-[4-(2,4,5-triphenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole (PubChem CID 140947817) has the molecular formula C44H30N2S and a molecular weight of 618.81 g/mol. Its IUPAC name is 8-methyl-7-[4-(2,4,5-triphenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name8-methyl-7-[4-(2,4,5-triphenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole
PubChem CID140947817
Molecular FormulaC44H30N2S
Molecular Weight618.81 g/mol
Exact Mass618.21
IUPAC Name8-methyl-7-[4-(2,4,5-triphenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole
SMILESCc1ccc2c(nc3sc4ccccc4n32)c1-c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C44H30N2S/c1-29-21-26-40-43(45-44-46(40)39-19-11-12-20-41(39)47-44)42(29)34-24-22-33(23-25-34)38-28-36(31-15-7-3-8-16-31)35(30-13-5-2-6-14-30)27-37(38)32-17-9-4-10-18-32/h2-28H,1H3
InChIKeyFFAHWBRECLTUKT-UHFFFAOYSA-N
XLogP12.35
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.81
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-methyl-7-[4-(2,4,5-triphenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole 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-methyl-1-phenylimidazo[2,1-b][1,3]benzothiazole
CID 142553581
9-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-tert-butyl-4-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole;3-tert-butyl-4-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole;3-(1-deuteriocyclopentyl)-4-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole;8-methyl-7-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole
CID 159113623
2-(2-methylphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163394893
2-hydroxy-3-phenylpyrimido[2,1-b][1,3]benzothiazol-4-one
CID 135418971
12-phenyl-13-(9-phenylcarbazol-3-yl)-14-oxa-8-thia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaen-16-one
CID 163394844
11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]indolo[2,1-b][1,3]benzothiazole
CID 164782495
1,2-dimethylimidazo[2,1-b][1,3]benzothiazole
CID 70385132
benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane
CID 162121050
benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane
CID 158681040
ethane;9-methylbenzimidazolo[2,1-b][1,3]benzothiazole
CID 144782380
bis[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane
CID 153462934
8-(1-deuteriocyclopentyl)-7-[3-[5-[9-(1-deuteriocyclopentyl)-5,5,6,6-tetramethylbenzo[b][1,5]benzoxasilepin-10-yl]-2-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole
CID 140937424

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-[4-(2,4,5-triphenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole?
The IUPAC name of 8-methyl-7-[4-(2,4,5-triphenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole (CID 140947817) is 8-methyl-7-[4-(2,4,5-triphenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 8-methyl-7-[4-(2,4,5-triphenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 8-methyl-7-[4-(2,4,5-triphenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole is Cc1ccc2c(nc3sc4ccccc4n32)c1-c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)cc2-c2ccccc2)cc1.
What is the InChIKey of 8-methyl-7-[4-(2,4,5-triphenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole?
The InChIKey is FFAHWBRECLTUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2S/c1-29-21-26-40-43(45-44-46(40)39-19-11-12-20-41(39)47-44)42(29)34-24-22-33(23-25-34)38-28-36(31-15-7-3-8-16-31)35(30-13-5-2-6-14-30)27-37(38)32-17-9-4-10-18-32/h2-28H,1H3.
What are the key properties of 8-methyl-7-[4-(2,4,5-triphenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole?
8-methyl-7-[4-(2,4,5-triphenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole has a molecular weight of 618.81 g/mol, XLogP of 12.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-[4-(2,4,5-triphenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 140947817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).