N-phenylmethoxy-10H-anthracen-9-imine

C21H17NO — CID 174339688

IUPACN-phenylmethoxy-10H-anthracen-9-imine
SMILESc1ccc(CON=C2c3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C21H17NO/c1-2-8-16(9-3-1)15-23-22-21-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)21/h1-13H,14-15H2
InChIKeyRYVUEJNMYXMAER-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.56
Rot. Bonds3

About N-phenylmethoxy-10H-anthracen-9-imine

N-phenylmethoxy-10H-anthracen-9-imine (PubChem CID 174339688) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is N-phenylmethoxy-10H-anthracen-9-imine.

Molecular Properties

Compound NameN-phenylmethoxy-10H-anthracen-9-imine
PubChem CID174339688
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC NameN-phenylmethoxy-10H-anthracen-9-imine
SMILESc1ccc(CON=C2c3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C21H17NO/c1-2-8-16(9-3-1)15-23-22-21-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)21/h1-13H,14-15H2
InChIKeyRYVUEJNMYXMAER-UHFFFAOYSA-N
XLogP4.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one
CID 172930005
3,4,5,6-tetrachloro-1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine
CID 87328504
N-(10H-anthracen-9-ylideneamino)-10H-anthracen-9-imine
CID 123408849
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine
CID 123594616
1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine
CID 87328565
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
chromium;9H-fluorene
CID 161167703
N-phenylmethoxymethanimine
CID 561610
benzyl nitrite;cyclohexane
CID 175094734
1-N,4-N-bis(phenylmethoxy)cyclohexane-1,4-diimine;5,5-dimethyl-1-N,3-N-bis(phenylmethoxy)cyclohexane-1,3-diimine
CID 89297713

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-10H-anthracen-9-imine?
The IUPAC name of N-phenylmethoxy-10H-anthracen-9-imine (CID 174339688) is N-phenylmethoxy-10H-anthracen-9-imine.
What is the SMILES notation for N-phenylmethoxy-10H-anthracen-9-imine?
The canonical SMILES for N-phenylmethoxy-10H-anthracen-9-imine is c1ccc(CON=C2c3ccccc3Cc3ccccc32)cc1.
What is the InChIKey of N-phenylmethoxy-10H-anthracen-9-imine?
The InChIKey is RYVUEJNMYXMAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-2-8-16(9-3-1)15-23-22-21-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)21/h1-13H,14-15H2.
What are the key properties of N-phenylmethoxy-10H-anthracen-9-imine?
N-phenylmethoxy-10H-anthracen-9-imine has a molecular weight of 299.37 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-10H-anthracen-9-imine is sourced from PubChem (CID 174339688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).