[9-(2,6-dimethoxyphenyl)-1,8-dimethoxyacridin-10-ium-10-yl]-phenylmethanone

C30H26NO5+ — CID 101144155

IUPAC[9-(2,6-dimethoxyphenyl)-1,8-dimethoxyacridin-10-ium-10-yl]-phenylmethanone
SMILESCOc1cccc(OC)c1-c1c2c(OC)cccc2[n+](C(=O)c2ccccc2)c2cccc(OC)c12
InChIInChI=1S/C30H26NO5/c1-33-22-15-8-13-20-26(22)29(28-24(35-3)17-10-18-25(28)36-4)27-21(14-9-16-23(27)34-2)31(20)30(32)19-11-6-5-7-12-19/h5-18H,1-4H3/q+1
InChIKeyVMLXZORUZPOPHA-UHFFFAOYSA-N
MW480.54 g/mol
LogP5.67
Rot. Bonds6

About [9-(2,6-dimethoxyphenyl)-1,8-dimethoxyacridin-10-ium-10-yl]-phenylmethanone

[9-(2,6-dimethoxyphenyl)-1,8-dimethoxyacridin-10-ium-10-yl]-phenylmethanone (PubChem CID 101144155) has the molecular formula C30H26NO5+ and a molecular weight of 480.54 g/mol. Its IUPAC name is [9-(2,6-dimethoxyphenyl)-1,8-dimethoxyacridin-10-ium-10-yl]-phenylmethanone.

Molecular Properties

Compound Name[9-(2,6-dimethoxyphenyl)-1,8-dimethoxyacridin-10-ium-10-yl]-phenylmethanone
PubChem CID101144155
Molecular FormulaC30H26NO5+
Molecular Weight480.54 g/mol
Exact Mass480.18
IUPAC Name[9-(2,6-dimethoxyphenyl)-1,8-dimethoxyacridin-10-ium-10-yl]-phenylmethanone
SMILESCOc1cccc(OC)c1-c1c2c(OC)cccc2[n+](C(=O)c2ccccc2)c2cccc(OC)c12
InChIInChI=1S/C30H26NO5/c1-33-22-15-8-13-20-26(22)29(28-24(35-3)17-10-18-25(28)36-4)27-21(14-9-16-23(27)34-2)31(20)30(32)19-11-6-5-7-12-19/h5-18H,1-4H3/q+1
InChIKeyVMLXZORUZPOPHA-UHFFFAOYSA-N
XLogP5.67
TPSA57.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.54
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

10-benzyl-9-(2,6-dimethoxyphenyl)-1,8-dimethoxyacridin-10-ium
CID 11261394
(2-acetyl-3-methoxyphenyl) benzoate
CID 14572161
bis(3-methoxy-2-phenylphenyl)methanone
CID 141103935
(10-methoxyphenanthridin-6-yl)-phenylmethanone
CID 132851080
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium
CID 10865680
(2-iodo-3-methoxyphenyl)-phenylmethanone
CID 134227112
(2-amino-3-methoxyphenyl)-phenylmethanone
CID 18185399
6,11-bis(2,6-dimethoxyphenyl)tetracene-5,12-diol
CID 132568978
N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 137118645
3-(2-methoxyphenyl)benzoic acid
CID 2759547
3-(2,6-dimethoxyphenyl)thiophene-2-carboxylic acid
CID 116810844

Frequently Asked Questions

What is the IUPAC name of [9-(2,6-dimethoxyphenyl)-1,8-dimethoxyacridin-10-ium-10-yl]-phenylmethanone?
The IUPAC name of [9-(2,6-dimethoxyphenyl)-1,8-dimethoxyacridin-10-ium-10-yl]-phenylmethanone (CID 101144155) is [9-(2,6-dimethoxyphenyl)-1,8-dimethoxyacridin-10-ium-10-yl]-phenylmethanone.
What is the SMILES notation for [9-(2,6-dimethoxyphenyl)-1,8-dimethoxyacridin-10-ium-10-yl]-phenylmethanone?
The canonical SMILES for [9-(2,6-dimethoxyphenyl)-1,8-dimethoxyacridin-10-ium-10-yl]-phenylmethanone is COc1cccc(OC)c1-c1c2c(OC)cccc2[n+](C(=O)c2ccccc2)c2cccc(OC)c12.
What is the InChIKey of [9-(2,6-dimethoxyphenyl)-1,8-dimethoxyacridin-10-ium-10-yl]-phenylmethanone?
The InChIKey is VMLXZORUZPOPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26NO5/c1-33-22-15-8-13-20-26(22)29(28-24(35-3)17-10-18-25(28)36-4)27-21(14-9-16-23(27)34-2)31(20)30(32)19-11-6-5-7-12-19/h5-18H,1-4H3/q+1.
What are the key properties of [9-(2,6-dimethoxyphenyl)-1,8-dimethoxyacridin-10-ium-10-yl]-phenylmethanone?
[9-(2,6-dimethoxyphenyl)-1,8-dimethoxyacridin-10-ium-10-yl]-phenylmethanone has a molecular weight of 480.54 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(2,6-dimethoxyphenyl)-1,8-dimethoxyacridin-10-ium-10-yl]-phenylmethanone is sourced from PubChem (CID 101144155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).