1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-phenyl-2H-imidazole

C27H22N2 — CID 162279073

IUPAC1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-phenyl-2H-imidazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2C=CN(c3ccccc3)C2)c([2H])c1[2H]
InChIInChI=1S/C27H22N2/c1-4-11-22(12-5-1)25-17-10-18-26(23-13-6-2-7-14-23)27(25)29-20-19-28(21-29)24-15-8-3-9-16-24/h1-20H,21H2/i1D,2D,4D,5D,6D,7D,11D,12D,13D,14D
InChIKeyFHLPXTCOWVGMIB-WDAWXDKYSA-N
MW384.55 g/mol
LogP6.78
Rot. Bonds4

About 1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-phenyl-2H-imidazole

1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-phenyl-2H-imidazole (PubChem CID 162279073) has the molecular formula C27H22N2 and a molecular weight of 384.55 g/mol. Its IUPAC name is 1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-phenyl-2H-imidazole.

Molecular Properties

Compound Name1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-phenyl-2H-imidazole
PubChem CID162279073
Molecular FormulaC27H22N2
Molecular Weight384.55 g/mol
Exact Mass384.24
IUPAC Name1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-phenyl-2H-imidazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2C=CN(c3ccccc3)C2)c([2H])c1[2H]
InChIInChI=1S/C27H22N2/c1-4-11-22(12-5-1)25-17-10-18-26(23-13-6-2-7-14-23)27(25)29-20-19-28(21-29)24-15-8-3-9-16-24/h1-20H,21H2/i1D,2D,4D,5D,6D,7D,11D,12D,13D,14D
InChIKeyFHLPXTCOWVGMIB-WDAWXDKYSA-N
XLogP6.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.55
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-diphenylphenyl)-3-(2-iodo-6-phenylphenyl)-2H-imidazole
CID 146180840
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-1-yl]phenoxy]-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole
CID 168799727
1-(2,6-dimethylphenyl)-3-[3-[2-[3-[3-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazole
CID 140814522
1-(4-iodophenyl)-3-phenyl-2H-imidazole
CID 69494729
4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole
CID 164845414
1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene
CID 140946173
3,9-bis[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-ylcarbazole;9-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 164976427
1,2,3,4,5-pentadeuterio-6-(5-methyl-2-phenylphenyl)benzene
CID 170941931
4-tert-butyl-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 164928466
4-tert-butyl-5-(3,5-ditert-butylphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 158612142
1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-(2,6-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]carbazole
CID 170518264
1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[1,2,5,6,7,8-hexadeuterio-9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-4-yl]carbazole
CID 170659940

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-phenyl-2H-imidazole?
The IUPAC name of 1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-phenyl-2H-imidazole (CID 162279073) is 1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-phenyl-2H-imidazole.
What is the SMILES notation for 1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-phenyl-2H-imidazole?
The canonical SMILES for 1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-phenyl-2H-imidazole is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2C=CN(c3ccccc3)C2)c([2H])c1[2H].
What is the InChIKey of 1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-phenyl-2H-imidazole?
The InChIKey is FHLPXTCOWVGMIB-WDAWXDKYSA-N. The full InChI is InChI=1S/C27H22N2/c1-4-11-22(12-5-1)25-17-10-18-26(23-13-6-2-7-14-23)27(25)29-20-19-28(21-29)24-15-8-3-9-16-24/h1-20H,21H2/i1D,2D,4D,5D,6D,7D,11D,12D,13D,14D.
What are the key properties of 1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-phenyl-2H-imidazole?
1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-phenyl-2H-imidazole has a molecular weight of 384.55 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-phenyl-2H-imidazole is sourced from PubChem (CID 162279073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).