(3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium

C22H16Cl2NO2+ — CID 4088155

IUPAC(3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium
SMILESCOc1ccc(/[NH+]=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)cc1Cl
InChIInChI=1S/C22H15Cl2NO2/c1-26-21-10-8-16(12-18(21)24)25-19-13-22(14-5-3-2-4-6-14)27-20-9-7-15(23)11-17(19)20/h2-13H,1H3/p+1/b25-19+
InChIKeyUVVMXSHPUKOSFX-NCELDCMTSA-O
MW397.28 g/mol
LogP4.73
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium

(3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium (PubChem CID 4088155) has the molecular formula C22H16Cl2NO2+ and a molecular weight of 397.28 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium
PubChem CID4088155
Molecular FormulaC22H16Cl2NO2+
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name(3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium
SMILESCOc1ccc(/[NH+]=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)cc1Cl
InChIInChI=1S/C22H15Cl2NO2/c1-26-21-10-8-16(12-18(21)24)25-19-13-22(14-5-3-2-4-6-14)27-20-9-7-15(23)11-17(19)20/h2-13H,1H3/p+1/b25-19+
InChIKeyUVVMXSHPUKOSFX-NCELDCMTSA-O
XLogP4.73
TPSA36.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methoxyphenyl)-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411989
(6-bromo-2-phenylchromen-4-ylidene)-(3-chloro-4-fluorophenyl)azanium tetrafluoroborate
CID 20997881
(3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411877
(3-chlorophenyl)-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 20997947
[2-(4-chlorophenyl)chromen-4-ylidene]-(4-methoxycarbonylphenyl)azanium tetrafluoroborate
CID 23411920
(6-hydroxy-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium perchlorate
CID 20998329
2-chloro-1-methoxy-4-methylbenzene;(2-phenylchromen-4-ylidene)azanium;tetrafluoroborate
CID 23411826
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-methoxyphenyl)azanium perchlorate
CID 20999017
[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-(3-methoxypropyl)azanium perchlorate
CID 20998908
(6-chloro-2-phenylchromen-4-ylidene)-(3-prop-1-enylhexa-3,5-dienyl)azanium tetrafluoroborate
CID 73263601
[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-[3-(dimethylamino)propyl]azanium perchlorate
CID 20998909
(6-ethyl-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium tetrafluoroborate
CID 2793149

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium (CID 4088155) is (3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium is COc1ccc(/[NH+]=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium?
The InChIKey is UVVMXSHPUKOSFX-NCELDCMTSA-O. The full InChI is InChI=1S/C22H15Cl2NO2/c1-26-21-10-8-16(12-18(21)24)25-19-13-22(14-5-3-2-4-6-14)27-20-9-7-15(23)11-17(19)20/h2-13H,1H3/p+1/b25-19+.
What are the key properties of (3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium?
(3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium has a molecular weight of 397.28 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium is sourced from PubChem (CID 4088155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).