phenyl-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)azanium

C18H15N2+ — CID 140581401

IUPACphenyl-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)azanium
SMILESC1=CC(=[NH+]c2ccccc2)C=CC1=Nc1ccccc1
InChIInChI=1S/C18H14N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14H/p+1/b19-17-,20-18+
InChIKeyQLSPXVTVRFSANN-YAFCTCPESA-O
MW259.33 g/mol
LogP2.74
Rot. Bonds2

About phenyl-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)azanium

phenyl-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)azanium (PubChem CID 140581401) has the molecular formula C18H15N2+ and a molecular weight of 259.33 g/mol. Its IUPAC name is phenyl-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)azanium.

Molecular Properties

Compound Namephenyl-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)azanium
PubChem CID140581401
Molecular FormulaC18H15N2+
Molecular Weight259.33 g/mol
Exact Mass259.12
IUPAC Namephenyl-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)azanium
SMILESC1=CC(=[NH+]c2ccccc2)C=CC1=Nc1ccccc1
InChIInChI=1S/C18H14N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14H/p+1/b19-17-,20-18+
InChIKeyQLSPXVTVRFSANN-YAFCTCPESA-O
XLogP2.74
TPSA26.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-N-methyl-4-N-[4-[(4-phenyliminocyclohexa-2,5-dien-1-ylidene)amino]phenyl]cyclohexa-2,5-diene-1,4-diimine
CID 20673086
ethane;4-phenyliminocyclohexa-2,5-dien-1-one
CID 91171720
N-phenylcyclohexa-2,5-dien-1-imine
CID 53401250
1-N-butyl-4-N-phenylcyclohexa-2,5-diene-1,4-diimine
CID 54524223
bis(diphenyldiazene);uranium;vanadium
CID 158886927
2,6-dimethyl-4-phenyliminocyclohexa-2,5-dien-1-one
CID 12612114
4-[(4-anilinophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N-phenylaniline;sulfuric acid
CID 156614038
2-[4-[(4-phenyliminocyclohexa-2,5-dien-1-ylidene)-[4-(2-sulfoanilino)phenyl]methyl]anilino]benzenesulfonic acid
CID 135764619
4-[(4-anilinophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride
CID 21118148
(2E)-N,4-diphenyl-2-(4-phenyl-5-phenylimino-1,3-thiazol-2-ylidene)-1,3-thiazol-5-imine
CID 132962070
2-(4-methylphenyl)sulfonyl-4-phenyliminocyclohexa-2,5-dien-1-one
CID 3457319
disodium;[4-[bis(4-anilinophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium;methanesulfonate
CID 171669569

Frequently Asked Questions

What is the IUPAC name of phenyl-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)azanium?
The IUPAC name of phenyl-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)azanium (CID 140581401) is phenyl-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)azanium.
What is the SMILES notation for phenyl-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)azanium?
The canonical SMILES for phenyl-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)azanium is C1=CC(=[NH+]c2ccccc2)C=CC1=Nc1ccccc1.
What is the InChIKey of phenyl-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)azanium?
The InChIKey is QLSPXVTVRFSANN-YAFCTCPESA-O. The full InChI is InChI=1S/C18H14N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14H/p+1/b19-17-,20-18+.
What are the key properties of phenyl-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)azanium?
phenyl-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)azanium has a molecular weight of 259.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)azanium is sourced from PubChem (CID 140581401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).