[6-bromo-2-(4-methoxyphenyl)chromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium

C24H21BrNO4+ — CID 46500342

IUPAC[6-bromo-2-(4-methoxyphenyl)chromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium
SMILESCOc1ccc(-c2c/c(=[NH+]\c3ccc(OC)cc3OC)c3cc(Br)ccc3o2)cc1
InChIInChI=1S/C24H20BrNO4/c1-27-17-7-4-15(5-8-17)23-14-21(19-12-16(25)6-11-22(19)30-23)26-20-10-9-18(28-2)13-24(20)29-3/h4-14H,1-3H3/p+1/b26-21+
InChIKeyLNYCBMSXDLSUMZ-YYADALCUSA-O
MW467.34 g/mol
LogP4.20
Rot. Bonds5

About [6-bromo-2-(4-methoxyphenyl)chromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium

[6-bromo-2-(4-methoxyphenyl)chromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium (PubChem CID 46500342) has the molecular formula C24H21BrNO4+ and a molecular weight of 467.34 g/mol. Its IUPAC name is [6-bromo-2-(4-methoxyphenyl)chromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium.

Molecular Properties

Compound Name[6-bromo-2-(4-methoxyphenyl)chromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium
PubChem CID46500342
Molecular FormulaC24H21BrNO4+
Molecular Weight467.34 g/mol
Exact Mass466.06
IUPAC Name[6-bromo-2-(4-methoxyphenyl)chromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium
SMILESCOc1ccc(-c2c/c(=[NH+]\c3ccc(OC)cc3OC)c3cc(Br)ccc3o2)cc1
InChIInChI=1S/C24H20BrNO4/c1-27-17-7-4-15(5-8-17)23-14-21(19-12-16(25)6-11-22(19)30-23)26-20-10-9-18(28-2)13-24(20)29-3/h4-14H,1-3H3/p+1/b26-21+
InChIKeyLNYCBMSXDLSUMZ-YYADALCUSA-O
XLogP4.20
TPSA54.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium perchlorate
CID 20999019
(2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium
CID 3557993
2-(4-bromophenyl)-7-methoxychromen-4-one
CID 25032618
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate
CID 20998974
4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102345821
(3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411877
5-bromo-3-(4-methoxyphenyl)-1-benzofuran
CID 58123254
3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran
CID 89479970
[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium
CID 1181688
(4-hydroxyphenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411882
(3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium
CID 4088155

Frequently Asked Questions

What is the IUPAC name of [6-bromo-2-(4-methoxyphenyl)chromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium?
The IUPAC name of [6-bromo-2-(4-methoxyphenyl)chromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium (CID 46500342) is [6-bromo-2-(4-methoxyphenyl)chromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium.
What is the SMILES notation for [6-bromo-2-(4-methoxyphenyl)chromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium?
The canonical SMILES for [6-bromo-2-(4-methoxyphenyl)chromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium is COc1ccc(-c2c/c(=[NH+]\c3ccc(OC)cc3OC)c3cc(Br)ccc3o2)cc1.
What is the InChIKey of [6-bromo-2-(4-methoxyphenyl)chromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium?
The InChIKey is LNYCBMSXDLSUMZ-YYADALCUSA-O. The full InChI is InChI=1S/C24H20BrNO4/c1-27-17-7-4-15(5-8-17)23-14-21(19-12-16(25)6-11-22(19)30-23)26-20-10-9-18(28-2)13-24(20)29-3/h4-14H,1-3H3/p+1/b26-21+.
What are the key properties of [6-bromo-2-(4-methoxyphenyl)chromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium?
[6-bromo-2-(4-methoxyphenyl)chromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium has a molecular weight of 467.34 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-2-(4-methoxyphenyl)chromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium is sourced from PubChem (CID 46500342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).