N-phenylcyclohexa-2,5-dien-1-imine

C12H10N+ — CID 53401250

IUPACN-phenylcyclohexa-2,5-dien-1-imine
SMILESC1=CC(=Nc2ccccc2)C=C[CH+]1
InChIInChI=1S/C12H10N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H/q+1
InChIKeyGNKRCJRRDFUGIJ-UHFFFAOYSA-N
MW168.22 g/mol
LogP3.09
Rot. Bonds1

About N-phenylcyclohexa-2,5-dien-1-imine

N-phenylcyclohexa-2,5-dien-1-imine (PubChem CID 53401250) has the molecular formula C12H10N+ and a molecular weight of 168.22 g/mol. Its IUPAC name is N-phenylcyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound NameN-phenylcyclohexa-2,5-dien-1-imine
PubChem CID53401250
Molecular FormulaC12H10N+
Molecular Weight168.22 g/mol
Exact Mass168.08
IUPAC NameN-phenylcyclohexa-2,5-dien-1-imine
SMILESC1=CC(=Nc2ccccc2)C=C[CH+]1
InChIInChI=1S/C12H10N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H/q+1
InChIKeyGNKRCJRRDFUGIJ-UHFFFAOYSA-N
XLogP3.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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
phenyl-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)azanium
CID 140581401
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
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
diphenyldiazene;hydrofluoride
CID 174857584
2-[4-[(4-phenyliminocyclohexa-2,5-dien-1-ylidene)-[4-(2-sulfoanilino)phenyl]methyl]anilino]benzenesulfonic acid
CID 135764619

Frequently Asked Questions

What is the IUPAC name of N-phenylcyclohexa-2,5-dien-1-imine?
The IUPAC name of N-phenylcyclohexa-2,5-dien-1-imine (CID 53401250) is N-phenylcyclohexa-2,5-dien-1-imine.
What is the SMILES notation for N-phenylcyclohexa-2,5-dien-1-imine?
The canonical SMILES for N-phenylcyclohexa-2,5-dien-1-imine is C1=CC(=Nc2ccccc2)C=C[CH+]1.
What is the InChIKey of N-phenylcyclohexa-2,5-dien-1-imine?
The InChIKey is GNKRCJRRDFUGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H/q+1.
What are the key properties of N-phenylcyclohexa-2,5-dien-1-imine?
N-phenylcyclohexa-2,5-dien-1-imine has a molecular weight of 168.22 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylcyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 53401250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).