2-naphthalen-1-yl-1,4,5-triphenylimidazole

C31H22N2 — CID 102218983

IUPAC2-naphthalen-1-yl-1,4,5-triphenylimidazole
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)n(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C31H22N2/c1-4-14-24(15-5-1)29-30(25-16-6-2-7-17-25)33(26-19-8-3-9-20-26)31(32-29)28-22-12-18-23-13-10-11-21-27(23)28/h1-22H
InChIKeyCCUNCOMCOLPZET-UHFFFAOYSA-N
MW422.53 g/mol
LogP8.03
Rot. Bonds4

About 2-naphthalen-1-yl-1,4,5-triphenylimidazole

2-naphthalen-1-yl-1,4,5-triphenylimidazole (PubChem CID 102218983) has the molecular formula C31H22N2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1,4,5-triphenylimidazole.

Molecular Properties

Compound Name2-naphthalen-1-yl-1,4,5-triphenylimidazole
PubChem CID102218983
Molecular FormulaC31H22N2
Molecular Weight422.53 g/mol
Exact Mass422.18
IUPAC Name2-naphthalen-1-yl-1,4,5-triphenylimidazole
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)n(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C31H22N2/c1-4-14-24(15-5-1)29-30(25-16-6-2-7-17-25)33(26-19-8-3-9-20-26)31(32-29)28-22-12-18-23-13-10-11-21-27(23)28/h1-22H
InChIKeyCCUNCOMCOLPZET-UHFFFAOYSA-N
XLogP8.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1,4,5-triphenylimidazole?
The IUPAC name of 2-naphthalen-1-yl-1,4,5-triphenylimidazole (CID 102218983) is 2-naphthalen-1-yl-1,4,5-triphenylimidazole.
What is the SMILES notation for 2-naphthalen-1-yl-1,4,5-triphenylimidazole?
The canonical SMILES for 2-naphthalen-1-yl-1,4,5-triphenylimidazole is c1ccc(-c2nc(-c3cccc4ccccc34)n(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-1,4,5-triphenylimidazole?
The InChIKey is CCUNCOMCOLPZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2/c1-4-14-24(15-5-1)29-30(25-16-6-2-7-17-25)33(26-19-8-3-9-20-26)31(32-29)28-22-12-18-23-13-10-11-21-27(23)28/h1-22H.
What are the key properties of 2-naphthalen-1-yl-1,4,5-triphenylimidazole?
2-naphthalen-1-yl-1,4,5-triphenylimidazole has a molecular weight of 422.53 g/mol, XLogP of 8.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1,4,5-triphenylimidazole is sourced from PubChem (CID 102218983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).