(3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate

C22H16BCl2F4NO2 — CID 23411877

IUPAC(3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
SMILESCOc1ccc(-c2c/c(=[NH+]\c3ccc(Cl)c(Cl)c3)c3ccccc3o2)cc1.F[B-](F)(F)F
InChIInChI=1S/C22H15Cl2NO2.BF4/c1-26-16-9-6-14(7-10-16)22-13-20(17-4-2-3-5-21(17)27-22)25-15-8-11-18(23)19(24)12-15;2-1(3,4)5/h2-13H,1H3;/q;-1/p+1/b25-20+;
InChIKeySUVQZGIRKLDAPE-UDLBSFQBSA-O
MW484.09 g/mol
LogP6.03
Rot. Bonds3

About (3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate

(3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate (PubChem CID 23411877) has the molecular formula C22H16BCl2F4NO2 and a molecular weight of 484.09 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
PubChem CID23411877
Molecular FormulaC22H16BCl2F4NO2
Molecular Weight484.09 g/mol
Exact Mass483.06
IUPAC Name(3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
SMILESCOc1ccc(-c2c/c(=[NH+]\c3ccc(Cl)c(Cl)c3)c3ccccc3o2)cc1.F[B-](F)(F)F
InChIInChI=1S/C22H15Cl2NO2.BF4/c1-26-16-9-6-14(7-10-16)22-13-20(17-4-2-3-5-21(17)27-22)25-15-8-11-18(23)19(24)12-15;2-1(3,4)5/h2-13H,1H3;/q;-1/p+1/b25-20+;
InChIKeySUVQZGIRKLDAPE-UDLBSFQBSA-O
XLogP6.03
TPSA36.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.09
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(4-hydroxyphenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411882
(3-hydroxyphenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411881
(3-chloro-4-methoxyphenyl)-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411989
[2-(4-chlorophenyl)chromen-4-ylidene]-(4-methoxycarbonylphenyl)azanium tetrafluoroborate
CID 23411920
(3-chlorophenyl)-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 20997947
[2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium tetrafluoroborate
CID 23411909
[2-(4-chlorophenyl)chromen-4-ylidene]-[3-(trifluoromethyl)phenyl]azanium tetrafluoroborate
CID 23411942
(3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium
CID 4088155
(6-bromo-2-phenylchromen-4-ylidene)-(3-chloro-4-fluorophenyl)azanium tetrafluoroborate
CID 20997881
[2-(4-chlorophenyl)chromen-4-ylidene]-prop-2-enylazanium tetrafluoroborate
CID 23411961
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-methoxyphenyl)azanium perchlorate
CID 20999017
[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxyphenyl]-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium tetrafluoroborate
CID 20997937

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate?
The IUPAC name of (3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate (CID 23411877) is (3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate.
What is the SMILES notation for (3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate?
The canonical SMILES for (3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate is COc1ccc(-c2c/c(=[NH+]\c3ccc(Cl)c(Cl)c3)c3ccccc3o2)cc1.F[B-](F)(F)F.
What is the InChIKey of (3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate?
The InChIKey is SUVQZGIRKLDAPE-UDLBSFQBSA-O. The full InChI is InChI=1S/C22H15Cl2NO2.BF4/c1-26-16-9-6-14(7-10-16)22-13-20(17-4-2-3-5-21(17)27-22)25-15-8-11-18(23)19(24)12-15;2-1(3,4)5/h2-13H,1H3;/q;-1/p+1/b25-20+;.
What are the key properties of (3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate?
(3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate has a molecular weight of 484.09 g/mol, XLogP of 6.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate is sourced from PubChem (CID 23411877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).