[4-[2-[(2-methyl-2-tricyclo[3.3.1.03,7]nonanyl)oxy]-2-oxoethoxy]phenyl]-diphenylazanium

C30H32NO3+ — CID 163755609

IUPAC[4-[2-[(2-methyl-2-tricyclo[3.3.1.03,7]nonanyl)oxy]-2-oxoethoxy]phenyl]-diphenylazanium
SMILESCC1(OC(=O)COc2ccc([NH+](c3ccccc3)c3ccccc3)cc2)C2CC3CC(C2)C1C3
InChIInChI=1S/C30H31NO3/c1-30(23-17-21-16-22(19-23)28(30)18-21)34-29(32)20-33-27-14-12-26(13-15-27)31(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,21-23,28H,16-20H2,1H3/p+1
InChIKeyLTUCYYMUBSLZCE-UHFFFAOYSA-O
MW454.59 g/mol
LogP5.61
Rot. Bonds7

About [4-[2-[(2-methyl-2-tricyclo[3.3.1.03,7]nonanyl)oxy]-2-oxoethoxy]phenyl]-diphenylazanium

[4-[2-[(2-methyl-2-tricyclo[3.3.1.03,7]nonanyl)oxy]-2-oxoethoxy]phenyl]-diphenylazanium (PubChem CID 163755609) has the molecular formula C30H32NO3+ and a molecular weight of 454.59 g/mol. Its IUPAC name is [4-[2-[(2-methyl-2-tricyclo[3.3.1.03,7]nonanyl)oxy]-2-oxoethoxy]phenyl]-diphenylazanium.

Molecular Properties

Compound Name[4-[2-[(2-methyl-2-tricyclo[3.3.1.03,7]nonanyl)oxy]-2-oxoethoxy]phenyl]-diphenylazanium
PubChem CID163755609
Molecular FormulaC30H32NO3+
Molecular Weight454.59 g/mol
Exact Mass454.24
IUPAC Name[4-[2-[(2-methyl-2-tricyclo[3.3.1.03,7]nonanyl)oxy]-2-oxoethoxy]phenyl]-diphenylazanium
SMILESCC1(OC(=O)COc2ccc([NH+](c3ccccc3)c3ccccc3)cc2)C2CC3CC(C2)C1C3
InChIInChI=1S/C30H31NO3/c1-30(23-17-21-16-22(19-23)28(30)18-21)34-29(32)20-33-27-14-12-26(13-15-27)31(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,21-23,28H,16-20H2,1H3/p+1
InChIKeyLTUCYYMUBSLZCE-UHFFFAOYSA-O
XLogP5.61
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.59
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[2-[(2-methyl-2-tricyclo[3.3.1.03,7]nonanyl)oxy]-2-oxoethoxy]phenyl]-diphenylazanium with MolForge

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Related Compounds

[4-[(4-hydroxyphenyl)methoxy]phenyl]-diphenylsulfanium;(2-methyl-2-adamantyl) 2-chloroacetate;[4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]-diphenylsulfanium;dichloride
CID 167625469
(2-methyl-2-adamantyl) 2-(4-ethenylphenoxy)acetate
CID 59227049
(2-methyl-2-adamantyl) 2-[4-(thiolan-1-ium-1-yl)phenoxy]acetate
CID 153282769
bis[4-[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]sulfanylphenyl]iodanium
CID 162490159
[2-[2-[(2-methyl-2-tricyclo[3.3.1.03,7]nonanyl)oxy]-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate
CID 163587731
(2-methyl-2-adamantyl) 2-[4-(thian-1-ium-1-yl)phenoxy]acetate
CID 153282788
bis[4-[(4-hydroxyphenyl)methoxy]phenyl]iodanium;bis[4-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]iodanium;(2-methyl-2-adamantyl) 2-chloroacetate;dichloride
CID 167688186
[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium
CID 160665868
[4-methoxy-3-[[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]-diphenylsulfanium
CID 166021523
(2-methyl-2-adamantyl) 2-[4-[dichloro-[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-3-phenylphenyl]-λ4-tellanyl]phenoxy]acetate
CID 154612816
[4-[[3-iodo-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]-diphenylsulfanium
CID 166021497
[4-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethoxy]phenyl]-diphenylsulfanium
CID 59602482

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(2-methyl-2-tricyclo[3.3.1.03,7]nonanyl)oxy]-2-oxoethoxy]phenyl]-diphenylazanium?
The IUPAC name of [4-[2-[(2-methyl-2-tricyclo[3.3.1.03,7]nonanyl)oxy]-2-oxoethoxy]phenyl]-diphenylazanium (CID 163755609) is [4-[2-[(2-methyl-2-tricyclo[3.3.1.03,7]nonanyl)oxy]-2-oxoethoxy]phenyl]-diphenylazanium.
What is the SMILES notation for [4-[2-[(2-methyl-2-tricyclo[3.3.1.03,7]nonanyl)oxy]-2-oxoethoxy]phenyl]-diphenylazanium?
The canonical SMILES for [4-[2-[(2-methyl-2-tricyclo[3.3.1.03,7]nonanyl)oxy]-2-oxoethoxy]phenyl]-diphenylazanium is CC1(OC(=O)COc2ccc([NH+](c3ccccc3)c3ccccc3)cc2)C2CC3CC(C2)C1C3.
What is the InChIKey of [4-[2-[(2-methyl-2-tricyclo[3.3.1.03,7]nonanyl)oxy]-2-oxoethoxy]phenyl]-diphenylazanium?
The InChIKey is LTUCYYMUBSLZCE-UHFFFAOYSA-O. The full InChI is InChI=1S/C30H31NO3/c1-30(23-17-21-16-22(19-23)28(30)18-21)34-29(32)20-33-27-14-12-26(13-15-27)31(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,21-23,28H,16-20H2,1H3/p+1.
What are the key properties of [4-[2-[(2-methyl-2-tricyclo[3.3.1.03,7]nonanyl)oxy]-2-oxoethoxy]phenyl]-diphenylazanium?
[4-[2-[(2-methyl-2-tricyclo[3.3.1.03,7]nonanyl)oxy]-2-oxoethoxy]phenyl]-diphenylazanium has a molecular weight of 454.59 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(2-methyl-2-tricyclo[3.3.1.03,7]nonanyl)oxy]-2-oxoethoxy]phenyl]-diphenylazanium is sourced from PubChem (CID 163755609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).