(6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone

C35H28N2O2 — CID 22664967

IUPAC(6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone
SMILESCCOc1ccc2cc(C(=O)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1
InChIInChI=1S/C35H28N2O2/c1-2-39-32-21-20-26-22-28(19-18-27(26)23-32)34(38)33-24-37(25-36-33)35(29-12-6-3-7-13-29,30-14-8-4-9-15-30)31-16-10-5-11-17-31/h3-25H,2H2,1H3
InChIKeyIMTUSFIHSZXUQT-UHFFFAOYSA-N
MW508.62 g/mol
LogP7.51
Rot. Bonds8

About (6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone

(6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone (PubChem CID 22664967) has the molecular formula C35H28N2O2 and a molecular weight of 508.62 g/mol. Its IUPAC name is (6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone
PubChem CID22664967
Molecular FormulaC35H28N2O2
Molecular Weight508.62 g/mol
Exact Mass508.22
IUPAC Name(6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone
SMILESCCOc1ccc2cc(C(=O)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1
InChIInChI=1S/C35H28N2O2/c1-2-39-32-21-20-26-22-28(19-18-27(26)23-32)34(38)33-24-37(25-36-33)35(29-12-6-3-7-13-29,30-14-8-4-9-15-30)31-16-10-5-11-17-31/h3-25H,2H2,1H3
InChIKeyIMTUSFIHSZXUQT-UHFFFAOYSA-N
XLogP7.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-ethoxy-2,6-diethylphenyl)-(1-tritylimidazol-4-yl)methanol
CID 58951941
1-(6-ethoxynaphthalen-2-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol;1-(6-ethoxynaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
CID 157221033
1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanone
CID 154136701
(2,3-dimethylphenyl)-(1-tritylimidazol-4-yl)methanone
CID 10789333
ethyl 2-hydroxy-3-[6-(methylcarbamoyl)naphthalen-2-yl]-3-(1-tritylimidazol-4-yl)propanoate
CID 141215606
propan-2-yl (3S)-3-hydroxy-3-[6-(methylcarbamoyl)naphthalen-2-yl]-3-(1-tritylimidazol-4-yl)propanoate
CID 57465811
(6-methoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol
CID 11092260
(2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone
CID 138983241
2-ethoxynaphthalene
CID 118978197
1-[3-[3-(1-tritylimidazol-4-yl)propoxy]phenyl]ethanone
CID 11225518
(6-bromonaphthalen-2-yl)-(1-methylimidazol-4-yl)methanone
CID 114272864
2-[(S)-hydroxy-[6-(methylcarbamoyl)naphthalen-2-yl]-(1-tritylimidazol-4-yl)methyl]-3,3-dimethylbutanoic acid
CID 66650554

Frequently Asked Questions

What is the IUPAC name of (6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone?
The IUPAC name of (6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone (CID 22664967) is (6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone.
What is the SMILES notation for (6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone?
The canonical SMILES for (6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone is CCOc1ccc2cc(C(=O)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1.
What is the InChIKey of (6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone?
The InChIKey is IMTUSFIHSZXUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N2O2/c1-2-39-32-21-20-26-22-28(19-18-27(26)23-32)34(38)33-24-37(25-36-33)35(29-12-6-3-7-13-29,30-14-8-4-9-15-30)31-16-10-5-11-17-31/h3-25H,2H2,1H3.
What are the key properties of (6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone?
(6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone has a molecular weight of 508.62 g/mol, XLogP of 7.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone is sourced from PubChem (CID 22664967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).