1-[4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazol-2-yl]-4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazole

C48H42N4O6 — CID 58709362

IUPAC1-[4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazol-2-yl]-4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazole
SMILESCOc1cc(OC)c(-c2nc(-c3ccccc3)c(-c3ccccc3)n2C2(c3c(OC)cc(OC)cc3OC)N=C(c3ccccc3)C(c3ccccc3)=N2)c(OC)c1
InChIInChI=1S/C48H42N4O6/c1-53-35-27-37(55-3)41(38(28-35)56-4)47-49-45(33-23-15-9-16-24-33)46(34-25-17-10-18-26-34)52(47)48(42-39(57-5)29-36(54-2)30-40(42)58-6)50-43(31-19-11-7-12-20-31)44(51-48)32-21-13-8-14-22-32/h7-30H,1-6H3
InChIKeyRYHFITQMHVPYMF-UHFFFAOYSA-N
MW770.89 g/mol
LogP9.59
Rot. Bonds13

About 1-[4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazol-2-yl]-4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazole

1-[4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazol-2-yl]-4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazole (PubChem CID 58709362) has the molecular formula C48H42N4O6 and a molecular weight of 770.89 g/mol. Its IUPAC name is 1-[4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazol-2-yl]-4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazole.

Molecular Properties

Compound Name1-[4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazol-2-yl]-4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazole
PubChem CID58709362
Molecular FormulaC48H42N4O6
Molecular Weight770.89 g/mol
Exact Mass770.31
IUPAC Name1-[4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazol-2-yl]-4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazole
SMILESCOc1cc(OC)c(-c2nc(-c3ccccc3)c(-c3ccccc3)n2C2(c3c(OC)cc(OC)cc3OC)N=C(c3ccccc3)C(c3ccccc3)=N2)c(OC)c1
InChIInChI=1S/C48H42N4O6/c1-53-35-27-37(55-3)41(38(28-35)56-4)47-49-45(33-23-15-9-16-24-33)46(34-25-17-10-18-26-34)52(47)48(42-39(57-5)29-36(54-2)30-40(42)58-6)50-43(31-19-11-7-12-20-31)44(51-48)32-21-13-8-14-22-32/h7-30H,1-6H3
InChIKeyRYHFITQMHVPYMF-UHFFFAOYSA-N
XLogP9.59
TPSA97.92 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.89
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazol-2-yl]-4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazole?
The IUPAC name of 1-[4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazol-2-yl]-4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazole (CID 58709362) is 1-[4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazol-2-yl]-4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazole.
What is the SMILES notation for 1-[4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazol-2-yl]-4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazole?
The canonical SMILES for 1-[4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazol-2-yl]-4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazole is COc1cc(OC)c(-c2nc(-c3ccccc3)c(-c3ccccc3)n2C2(c3c(OC)cc(OC)cc3OC)N=C(c3ccccc3)C(c3ccccc3)=N2)c(OC)c1.
What is the InChIKey of 1-[4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazol-2-yl]-4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazole?
The InChIKey is RYHFITQMHVPYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N4O6/c1-53-35-27-37(55-3)41(38(28-35)56-4)47-49-45(33-23-15-9-16-24-33)46(34-25-17-10-18-26-34)52(47)48(42-39(57-5)29-36(54-2)30-40(42)58-6)50-43(31-19-11-7-12-20-31)44(51-48)32-21-13-8-14-22-32/h7-30H,1-6H3.
What are the key properties of 1-[4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazol-2-yl]-4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazole?
1-[4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazol-2-yl]-4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazole has a molecular weight of 770.89 g/mol, XLogP of 9.59, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazol-2-yl]-4,5-diphenyl-2-(2,4,6-trimethoxyphenyl)imidazole is sourced from PubChem (CID 58709362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).