2-[4-[6-[3-[4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]phenyl]-2-methyl-1-benzothiophen-6-yl]anthracen-2-yl]phenyl]-4,5-diphenyl-1H-imidazole

C67H48N4S — CID 59012346

IUPAC2-[4-[6-[3-[4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]phenyl]-2-methyl-1-benzothiophen-6-yl]anthracen-2-yl]phenyl]-4,5-diphenyl-1H-imidazole
SMILESCc1ccc(-c2nc(-c3ccc(-c4c(C)sc5cc(-c6ccc7cc8cc(-c9ccc(-c%10nc(-c%11ccccc%11)c(-c%11ccccc%11)[nH]%10)cc9)ccc8cc7c6)ccc45)cc3)[nH]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C67H48N4S/c1-41-14-18-48(19-15-41)64-65(49-20-16-42(2)17-21-49)71-67(70-64)51-28-24-45(25-29-51)61-43(3)72-60-40-56(34-35-59(60)61)53-31-33-55-38-57-36-52(30-32-54(57)39-58(55)37-53)44-22-26-50(27-23-44)66-68-62(46-10-6-4-7-11-46)63(69-66)47-12-8-5-9-13-47/h4-40H,1-3H3,(H,68,69)(H,70,71)
InChIKeyWHTJYFFLSYZASQ-UHFFFAOYSA-N
MW941.22 g/mol
LogP18.58
Rot. Bonds9

About 2-[4-[6-[3-[4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]phenyl]-2-methyl-1-benzothiophen-6-yl]anthracen-2-yl]phenyl]-4,5-diphenyl-1H-imidazole

2-[4-[6-[3-[4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]phenyl]-2-methyl-1-benzothiophen-6-yl]anthracen-2-yl]phenyl]-4,5-diphenyl-1H-imidazole (PubChem CID 59012346) has the molecular formula C67H48N4S and a molecular weight of 941.22 g/mol. Its IUPAC name is 2-[4-[6-[3-[4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]phenyl]-2-methyl-1-benzothiophen-6-yl]anthracen-2-yl]phenyl]-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-[4-[6-[3-[4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]phenyl]-2-methyl-1-benzothiophen-6-yl]anthracen-2-yl]phenyl]-4,5-diphenyl-1H-imidazole
PubChem CID59012346
Molecular FormulaC67H48N4S
Molecular Weight941.22 g/mol
Exact Mass940.36
IUPAC Name2-[4-[6-[3-[4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]phenyl]-2-methyl-1-benzothiophen-6-yl]anthracen-2-yl]phenyl]-4,5-diphenyl-1H-imidazole
SMILESCc1ccc(-c2nc(-c3ccc(-c4c(C)sc5cc(-c6ccc7cc8cc(-c9ccc(-c%10nc(-c%11ccccc%11)c(-c%11ccccc%11)[nH]%10)cc9)ccc8cc7c6)ccc45)cc3)[nH]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C67H48N4S/c1-41-14-18-48(19-15-41)64-65(49-20-16-42(2)17-21-49)71-67(70-64)51-28-24-45(25-29-51)61-43(3)72-60-40-56(34-35-59(60)61)53-31-33-55-38-57-36-52(30-32-54(57)39-58(55)37-53)44-22-26-50(27-23-44)66-68-62(46-10-6-4-7-11-46)63(69-66)47-12-8-5-9-13-47/h4-40H,1-3H3,(H,68,69)(H,70,71)
InChIKeyWHTJYFFLSYZASQ-UHFFFAOYSA-N
XLogP18.58
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.22
LogP ≤ 518.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[4-[6-[3-[4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]phenyl]-2-methyl-1-benzothiophen-6-yl]anthracen-2-yl]phenyl]-4,5-diphenyl-1H-imidazole with MolForge

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Related Compounds

2-(4-methylphenyl)-4-naphthalen-2-yl-5-phenyl-1H-imidazole;hydrochloride
CID 146051305
4-dibenzothiophen-3-yl-2,5-diphenyl-1H-imidazole
CID 3913842
5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 3106859
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
4-dibenzothiophen-3-yl-5-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazole
CID 4128398
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
[4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135438613
[4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone
CID 2259189
2-(8-methylnaphthalen-2-yl)-4,5-diphenyl-1H-imidazole
CID 139797871
2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole
CID 102124708
4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline
CID 3106619

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[3-[4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]phenyl]-2-methyl-1-benzothiophen-6-yl]anthracen-2-yl]phenyl]-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-[4-[6-[3-[4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]phenyl]-2-methyl-1-benzothiophen-6-yl]anthracen-2-yl]phenyl]-4,5-diphenyl-1H-imidazole (CID 59012346) is 2-[4-[6-[3-[4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]phenyl]-2-methyl-1-benzothiophen-6-yl]anthracen-2-yl]phenyl]-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-[4-[6-[3-[4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]phenyl]-2-methyl-1-benzothiophen-6-yl]anthracen-2-yl]phenyl]-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-[4-[6-[3-[4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]phenyl]-2-methyl-1-benzothiophen-6-yl]anthracen-2-yl]phenyl]-4,5-diphenyl-1H-imidazole is Cc1ccc(-c2nc(-c3ccc(-c4c(C)sc5cc(-c6ccc7cc8cc(-c9ccc(-c%10nc(-c%11ccccc%11)c(-c%11ccccc%11)[nH]%10)cc9)ccc8cc7c6)ccc45)cc3)[nH]c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[4-[6-[3-[4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]phenyl]-2-methyl-1-benzothiophen-6-yl]anthracen-2-yl]phenyl]-4,5-diphenyl-1H-imidazole?
The InChIKey is WHTJYFFLSYZASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48N4S/c1-41-14-18-48(19-15-41)64-65(49-20-16-42(2)17-21-49)71-67(70-64)51-28-24-45(25-29-51)61-43(3)72-60-40-56(34-35-59(60)61)53-31-33-55-38-57-36-52(30-32-54(57)39-58(55)37-53)44-22-26-50(27-23-44)66-68-62(46-10-6-4-7-11-46)63(69-66)47-12-8-5-9-13-47/h4-40H,1-3H3,(H,68,69)(H,70,71).
What are the key properties of 2-[4-[6-[3-[4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]phenyl]-2-methyl-1-benzothiophen-6-yl]anthracen-2-yl]phenyl]-4,5-diphenyl-1H-imidazole?
2-[4-[6-[3-[4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]phenyl]-2-methyl-1-benzothiophen-6-yl]anthracen-2-yl]phenyl]-4,5-diphenyl-1H-imidazole has a molecular weight of 941.22 g/mol, XLogP of 18.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[3-[4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]phenyl]-2-methyl-1-benzothiophen-6-yl]anthracen-2-yl]phenyl]-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 59012346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).