2-[4-[4-[1,1-bis[4-[4-[1-(2,4-dimethylphenyl)imidazol-2-yl]phenoxy]phenyl]ethyl]phenoxy]phenyl]-1-(2,4-dimethylphenyl)imidazole

C71H60N6O3 — CID 58059049

IUPAC2-[4-[4-[1,1-bis[4-[4-[1-(2,4-dimethylphenyl)imidazol-2-yl]phenoxy]phenyl]ethyl]phenoxy]phenyl]-1-(2,4-dimethylphenyl)imidazole
SMILESCc1ccc(-n2ccnc2-c2ccc(Oc3ccc(C(C)(c4ccc(Oc5ccc(-c6nccn6-c6ccc(C)cc6C)cc5)cc4)c4ccc(Oc5ccc(-c6nccn6-c6ccc(C)cc6C)cc5)cc4)cc3)cc2)c(C)c1
InChIInChI=1S/C71H60N6O3/c1-47-8-35-65(50(4)44-47)75-41-38-72-68(75)53-11-23-59(24-12-53)78-62-29-17-56(18-30-62)71(7,57-19-31-63(32-20-57)79-60-25-13-54(14-26-60)69-73-39-42-76(69)66-36-9-48(2)45-51(66)5)58-21-33-64(34-22-58)80-61-27-15-55(16-28-61)70-74-40-43-77(70)67-37-10-49(3)46-52(67)6/h8-46H,1-7H3
InChIKeyBJAZDVBPKBLKHY-UHFFFAOYSA-N
MW1045.30 g/mol
LogP17.83
Rot. Bonds15

About 2-[4-[4-[1,1-bis[4-[4-[1-(2,4-dimethylphenyl)imidazol-2-yl]phenoxy]phenyl]ethyl]phenoxy]phenyl]-1-(2,4-dimethylphenyl)imidazole

2-[4-[4-[1,1-bis[4-[4-[1-(2,4-dimethylphenyl)imidazol-2-yl]phenoxy]phenyl]ethyl]phenoxy]phenyl]-1-(2,4-dimethylphenyl)imidazole (PubChem CID 58059049) has the molecular formula C71H60N6O3 and a molecular weight of 1045.30 g/mol. Its IUPAC name is 2-[4-[4-[1,1-bis[4-[4-[1-(2,4-dimethylphenyl)imidazol-2-yl]phenoxy]phenyl]ethyl]phenoxy]phenyl]-1-(2,4-dimethylphenyl)imidazole.

Molecular Properties

Compound Name2-[4-[4-[1,1-bis[4-[4-[1-(2,4-dimethylphenyl)imidazol-2-yl]phenoxy]phenyl]ethyl]phenoxy]phenyl]-1-(2,4-dimethylphenyl)imidazole
PubChem CID58059049
Molecular FormulaC71H60N6O3
Molecular Weight1045.30 g/mol
Exact Mass1044.47
IUPAC Name2-[4-[4-[1,1-bis[4-[4-[1-(2,4-dimethylphenyl)imidazol-2-yl]phenoxy]phenyl]ethyl]phenoxy]phenyl]-1-(2,4-dimethylphenyl)imidazole
SMILESCc1ccc(-n2ccnc2-c2ccc(Oc3ccc(C(C)(c4ccc(Oc5ccc(-c6nccn6-c6ccc(C)cc6C)cc5)cc4)c4ccc(Oc5ccc(-c6nccn6-c6ccc(C)cc6C)cc5)cc4)cc3)cc2)c(C)c1
InChIInChI=1S/C71H60N6O3/c1-47-8-35-65(50(4)44-47)75-41-38-72-68(75)53-11-23-59(24-12-53)78-62-29-17-56(18-30-62)71(7,57-19-31-63(32-20-57)79-60-25-13-54(14-26-60)69-73-39-42-76(69)66-36-9-48(2)45-51(66)5)58-21-33-64(34-22-58)80-61-27-15-55(16-28-61)70-74-40-43-77(70)67-37-10-49(3)46-52(67)6/h8-46H,1-7H3
InChIKeyBJAZDVBPKBLKHY-UHFFFAOYSA-N
XLogP17.83
TPSA81.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.30
LogP ≤ 517.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[1,1-bis[4-[4-[1-(2,4-dimethylphenyl)imidazol-2-yl]phenoxy]phenyl]ethyl]phenoxy]phenyl]-1-(2,4-dimethylphenyl)imidazole?
The IUPAC name of 2-[4-[4-[1,1-bis[4-[4-[1-(2,4-dimethylphenyl)imidazol-2-yl]phenoxy]phenyl]ethyl]phenoxy]phenyl]-1-(2,4-dimethylphenyl)imidazole (CID 58059049) is 2-[4-[4-[1,1-bis[4-[4-[1-(2,4-dimethylphenyl)imidazol-2-yl]phenoxy]phenyl]ethyl]phenoxy]phenyl]-1-(2,4-dimethylphenyl)imidazole.
What is the SMILES notation for 2-[4-[4-[1,1-bis[4-[4-[1-(2,4-dimethylphenyl)imidazol-2-yl]phenoxy]phenyl]ethyl]phenoxy]phenyl]-1-(2,4-dimethylphenyl)imidazole?
The canonical SMILES for 2-[4-[4-[1,1-bis[4-[4-[1-(2,4-dimethylphenyl)imidazol-2-yl]phenoxy]phenyl]ethyl]phenoxy]phenyl]-1-(2,4-dimethylphenyl)imidazole is Cc1ccc(-n2ccnc2-c2ccc(Oc3ccc(C(C)(c4ccc(Oc5ccc(-c6nccn6-c6ccc(C)cc6C)cc5)cc4)c4ccc(Oc5ccc(-c6nccn6-c6ccc(C)cc6C)cc5)cc4)cc3)cc2)c(C)c1.
What is the InChIKey of 2-[4-[4-[1,1-bis[4-[4-[1-(2,4-dimethylphenyl)imidazol-2-yl]phenoxy]phenyl]ethyl]phenoxy]phenyl]-1-(2,4-dimethylphenyl)imidazole?
The InChIKey is BJAZDVBPKBLKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H60N6O3/c1-47-8-35-65(50(4)44-47)75-41-38-72-68(75)53-11-23-59(24-12-53)78-62-29-17-56(18-30-62)71(7,57-19-31-63(32-20-57)79-60-25-13-54(14-26-60)69-73-39-42-76(69)66-36-9-48(2)45-51(66)5)58-21-33-64(34-22-58)80-61-27-15-55(16-28-61)70-74-40-43-77(70)67-37-10-49(3)46-52(67)6/h8-46H,1-7H3.
What are the key properties of 2-[4-[4-[1,1-bis[4-[4-[1-(2,4-dimethylphenyl)imidazol-2-yl]phenoxy]phenyl]ethyl]phenoxy]phenyl]-1-(2,4-dimethylphenyl)imidazole?
2-[4-[4-[1,1-bis[4-[4-[1-(2,4-dimethylphenyl)imidazol-2-yl]phenoxy]phenyl]ethyl]phenoxy]phenyl]-1-(2,4-dimethylphenyl)imidazole has a molecular weight of 1045.30 g/mol, XLogP of 17.83, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[1,1-bis[4-[4-[1-(2,4-dimethylphenyl)imidazol-2-yl]phenoxy]phenyl]ethyl]phenoxy]phenyl]-1-(2,4-dimethylphenyl)imidazole is sourced from PubChem (CID 58059049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).