anthracen-9-ylmethylidene-(2-methoxyphenyl)-methylazanium

C23H20NO+ — CID 123467305

IUPACanthracen-9-ylmethylidene-(2-methoxyphenyl)-methylazanium
SMILESCOc1ccccc1/[N+](C)=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C23H20NO/c1-24(22-13-7-8-14-23(22)25-2)16-21-19-11-5-3-9-17(19)15-18-10-4-6-12-20(18)21/h3-16H,1-2H3/q+1/b24-16+
InChIKeyHAYQBRREVRRCOT-LFVJCYFKSA-N
MW326.42 g/mol
LogP5.39
Rot. Bonds3

About anthracen-9-ylmethylidene-(2-methoxyphenyl)-methylazanium

anthracen-9-ylmethylidene-(2-methoxyphenyl)-methylazanium (PubChem CID 123467305) has the molecular formula C23H20NO+ and a molecular weight of 326.42 g/mol. Its IUPAC name is anthracen-9-ylmethylidene-(2-methoxyphenyl)-methylazanium.

Molecular Properties

Compound Nameanthracen-9-ylmethylidene-(2-methoxyphenyl)-methylazanium
PubChem CID123467305
Molecular FormulaC23H20NO+
Molecular Weight326.42 g/mol
Exact Mass326.15
IUPAC Nameanthracen-9-ylmethylidene-(2-methoxyphenyl)-methylazanium
SMILESCOc1ccccc1/[N+](C)=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C23H20NO/c1-24(22-13-7-8-14-23(22)25-2)16-21-19-11-5-3-9-17(19)15-18-10-4-6-12-20(18)21/h3-16H,1-2H3/q+1/b24-16+
InChIKeyHAYQBRREVRRCOT-LFVJCYFKSA-N
XLogP5.39
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-methoxynaphthalene-1-carbaldehyde
CID 142595682
(NE)-N-[(2,3-dimethoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 22397383
1-methoxyanthracen-9-amine
CID 23131408
9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene
CID 25028120
3-ethenyl-1-methoxynaphthalene
CID 22386223
1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene
CID 21195641
11,15-dimethoxy-2,13-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 102337988
2-methoxy-1-[2-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]ethenyl]naphthalene
CID 75293754
(2-fluoro-3-methoxynaphthalen-1-yl) hypoiodite
CID 145405156
methanol;1-methoxynaphthalene;neptunium
CID 157299455
9-(2-methylprop-1-enyl)anthracene
CID 59708728
7-iodo-1,6-dimethoxynaphthalene
CID 14004783

Frequently Asked Questions

What is the IUPAC name of anthracen-9-ylmethylidene-(2-methoxyphenyl)-methylazanium?
The IUPAC name of anthracen-9-ylmethylidene-(2-methoxyphenyl)-methylazanium (CID 123467305) is anthracen-9-ylmethylidene-(2-methoxyphenyl)-methylazanium.
What is the SMILES notation for anthracen-9-ylmethylidene-(2-methoxyphenyl)-methylazanium?
The canonical SMILES for anthracen-9-ylmethylidene-(2-methoxyphenyl)-methylazanium is COc1ccccc1/[N+](C)=C/c1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracen-9-ylmethylidene-(2-methoxyphenyl)-methylazanium?
The InChIKey is HAYQBRREVRRCOT-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H20NO/c1-24(22-13-7-8-14-23(22)25-2)16-21-19-11-5-3-9-17(19)15-18-10-4-6-12-20(18)21/h3-16H,1-2H3/q+1/b24-16+.
What are the key properties of anthracen-9-ylmethylidene-(2-methoxyphenyl)-methylazanium?
anthracen-9-ylmethylidene-(2-methoxyphenyl)-methylazanium has a molecular weight of 326.42 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-ylmethylidene-(2-methoxyphenyl)-methylazanium is sourced from PubChem (CID 123467305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).