[1-[(4-methoxyphenyl)diazenyl]naphthalen-2-yl]-[(4-methoxyphenyl)methylidene]azanium tetrafluoroborate

C25H22BF4N3O2 — CID 6431724

IUPAC[1-[(4-methoxyphenyl)diazenyl]naphthalen-2-yl]-[(4-methoxyphenyl)methylidene]azanium tetrafluoroborate
SMILESCOc1ccc(/C=[NH+]/c2ccc3ccccc3c2/N=N/c2ccc(OC)cc2)cc1.F[B-](F)(F)F
InChIInChI=1S/C25H21N3O2.BF4/c1-29-21-12-7-18(8-13-21)17-26-24-16-9-19-5-3-4-6-23(19)25(24)28-27-20-10-14-22(30-2)15-11-20;2-1(3,4)5/h3-17H,1-2H3;/q;-1/p+1/b26-17+,28-27+;
InChIKeyOPNMZRUYDAJWRN-LQHQELQYSA-O
MW483.27 g/mol
LogP6.40
Rot. Bonds6

About [1-[(4-methoxyphenyl)diazenyl]naphthalen-2-yl]-[(4-methoxyphenyl)methylidene]azanium tetrafluoroborate

[1-[(4-methoxyphenyl)diazenyl]naphthalen-2-yl]-[(4-methoxyphenyl)methylidene]azanium tetrafluoroborate (PubChem CID 6431724) has the molecular formula C25H22BF4N3O2 and a molecular weight of 483.27 g/mol. Its IUPAC name is [1-[(4-methoxyphenyl)diazenyl]naphthalen-2-yl]-[(4-methoxyphenyl)methylidene]azanium tetrafluoroborate.

Molecular Properties

Compound Name[1-[(4-methoxyphenyl)diazenyl]naphthalen-2-yl]-[(4-methoxyphenyl)methylidene]azanium tetrafluoroborate
PubChem CID6431724
Molecular FormulaC25H22BF4N3O2
Molecular Weight483.27 g/mol
Exact Mass483.17
IUPAC Name[1-[(4-methoxyphenyl)diazenyl]naphthalen-2-yl]-[(4-methoxyphenyl)methylidene]azanium tetrafluoroborate
SMILESCOc1ccc(/C=[NH+]/c2ccc3ccccc3c2/N=N/c2ccc(OC)cc2)cc1.F[B-](F)(F)F
InChIInChI=1S/C25H21N3O2.BF4/c1-29-21-12-7-18(8-13-21)17-26-24-16-9-19-5-3-4-6-23(19)25(24)28-27-20-10-14-22(30-2)15-11-20;2-1(3,4)5/h3-17H,1-2H3;/q;-1/p+1/b26-17+,28-27+;
InChIKeyOPNMZRUYDAJWRN-LQHQELQYSA-O
XLogP6.40
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.27
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)-(2-methoxynaphthalen-1-yl)diazene
CID 102056826
(4-methoxyphenyl)-naphthalen-2-yldiazene
CID 572318
(1-bromonaphthalen-2-yl)-(4-methoxyphenyl)diazene
CID 572351
4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine
CID 134913471
(4-methoxyphenyl)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indol-3-yl]diazene
CID 137148122
(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 2852535
1H-indol-3-yl-(4-methoxyphenyl)diazene
CID 136732360
(4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene
CID 136721271
bis(2-[(4-methoxyphenyl)diazenyl]benzenethiolate);nickel(2+)
CID 171977429
3-methoxy-4-[[4-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]-N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide
CID 88553808
phenyl-(1-phenyldiazenylnaphthalen-2-yl)diazene
CID 22616925
[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
CID 71420351

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methoxyphenyl)diazenyl]naphthalen-2-yl]-[(4-methoxyphenyl)methylidene]azanium tetrafluoroborate?
The IUPAC name of [1-[(4-methoxyphenyl)diazenyl]naphthalen-2-yl]-[(4-methoxyphenyl)methylidene]azanium tetrafluoroborate (CID 6431724) is [1-[(4-methoxyphenyl)diazenyl]naphthalen-2-yl]-[(4-methoxyphenyl)methylidene]azanium tetrafluoroborate.
What is the SMILES notation for [1-[(4-methoxyphenyl)diazenyl]naphthalen-2-yl]-[(4-methoxyphenyl)methylidene]azanium tetrafluoroborate?
The canonical SMILES for [1-[(4-methoxyphenyl)diazenyl]naphthalen-2-yl]-[(4-methoxyphenyl)methylidene]azanium tetrafluoroborate is COc1ccc(/C=[NH+]/c2ccc3ccccc3c2/N=N/c2ccc(OC)cc2)cc1.F[B-](F)(F)F.
What is the InChIKey of [1-[(4-methoxyphenyl)diazenyl]naphthalen-2-yl]-[(4-methoxyphenyl)methylidene]azanium tetrafluoroborate?
The InChIKey is OPNMZRUYDAJWRN-LQHQELQYSA-O. The full InChI is InChI=1S/C25H21N3O2.BF4/c1-29-21-12-7-18(8-13-21)17-26-24-16-9-19-5-3-4-6-23(19)25(24)28-27-20-10-14-22(30-2)15-11-20;2-1(3,4)5/h3-17H,1-2H3;/q;-1/p+1/b26-17+,28-27+;.
What are the key properties of [1-[(4-methoxyphenyl)diazenyl]naphthalen-2-yl]-[(4-methoxyphenyl)methylidene]azanium tetrafluoroborate?
[1-[(4-methoxyphenyl)diazenyl]naphthalen-2-yl]-[(4-methoxyphenyl)methylidene]azanium tetrafluoroborate has a molecular weight of 483.27 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methoxyphenyl)diazenyl]naphthalen-2-yl]-[(4-methoxyphenyl)methylidene]azanium tetrafluoroborate is sourced from PubChem (CID 6431724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).