[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-naphthalen-1-ylazanium perchlorate

C26H19Cl2NO6 — CID 20999011

IUPAC[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-naphthalen-1-ylazanium perchlorate
SMILESCOc1ccc2oc(-c3ccccc3Cl)c/c(=[NH+]\c3cccc4ccccc34)c2c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C26H18ClNO2.ClHO4/c1-29-18-13-14-25-21(15-18)24(16-26(30-25)20-10-4-5-11-22(20)27)28-23-12-6-8-17-7-2-3-9-19(17)23;2-1(3,4)5/h2-16H,1H3;(H,2,3,4,5)/b28-24+;
InChIKeyADNBKTAGFCNUIS-YTGAECEWSA-N
MW512.35 g/mol
LogP0.47
Rot. Bonds3

About [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-naphthalen-1-ylazanium perchlorate

[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-naphthalen-1-ylazanium perchlorate (PubChem CID 20999011) has the molecular formula C26H19Cl2NO6 and a molecular weight of 512.35 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-naphthalen-1-ylazanium perchlorate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-naphthalen-1-ylazanium perchlorate
PubChem CID20999011
Molecular FormulaC26H19Cl2NO6
Molecular Weight512.35 g/mol
Exact Mass511.06
IUPAC Name[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-naphthalen-1-ylazanium perchlorate
SMILESCOc1ccc2oc(-c3ccccc3Cl)c/c(=[NH+]\c3cccc4ccccc34)c2c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C26H18ClNO2.ClHO4/c1-29-18-13-14-25-21(15-18)24(16-26(30-25)20-10-4-5-11-22(20)27)28-23-12-6-8-17-7-2-3-9-19(17)23;2-1(3,4)5/h2-16H,1H3;(H,2,3,4,5)/b28-24+;
InChIKeyADNBKTAGFCNUIS-YTGAECEWSA-N
XLogP0.47
TPSA128.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.35
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-methoxyphenyl)azanium perchlorate
CID 20999017
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium perchlorate
CID 20999019
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-ethoxyphenyl)azanium perchlorate
CID 20999018
benzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate
CID 20999004
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
CID 20999006
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-pyrrolidin-1-ylphenyl)azanium perchlorate
CID 20999024
2-(2-chlorophenyl)benzo[e][1]benzofuran
CID 838342
6-methoxy-2-naphthalen-1-ylchromen-4-one
CID 101199267
(2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium
CID 3557993
(3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411877
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
CID 20998969
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate
CID 20998974

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-naphthalen-1-ylazanium perchlorate?
The IUPAC name of [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-naphthalen-1-ylazanium perchlorate (CID 20999011) is [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-naphthalen-1-ylazanium perchlorate.
What is the SMILES notation for [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-naphthalen-1-ylazanium perchlorate?
The canonical SMILES for [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-naphthalen-1-ylazanium perchlorate is COc1ccc2oc(-c3ccccc3Cl)c/c(=[NH+]\c3cccc4ccccc34)c2c1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-naphthalen-1-ylazanium perchlorate?
The InChIKey is ADNBKTAGFCNUIS-YTGAECEWSA-N. The full InChI is InChI=1S/C26H18ClNO2.ClHO4/c1-29-18-13-14-25-21(15-18)24(16-26(30-25)20-10-4-5-11-22(20)27)28-23-12-6-8-17-7-2-3-9-19(17)23;2-1(3,4)5/h2-16H,1H3;(H,2,3,4,5)/b28-24+;.
What are the key properties of [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-naphthalen-1-ylazanium perchlorate?
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-naphthalen-1-ylazanium perchlorate has a molecular weight of 512.35 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-naphthalen-1-ylazanium perchlorate is sourced from PubChem (CID 20999011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).