N-[(E)-[4-(8H-benzo[7]annulen-5-yl)phenyl]-cyclohexa-2,4-dien-1-ylidenemethyl]methanimine

C25H21N — CID 142324142

IUPACN-[(E)-[4-(8H-benzo[7]annulen-5-yl)phenyl]-cyclohexa-2,4-dien-1-ylidenemethyl]methanimine
SMILESC=N/C(=C1/C=CC=CC1)c1ccc(C2=c3ccccc3=CCC=C2)cc1
InChIInChI=1S/C25H21N/c1-26-25(21-11-3-2-4-12-21)22-17-15-20(16-18-22)24-14-8-6-10-19-9-5-7-13-23(19)24/h2-5,7-11,13-18H,1,6,12H2/b25-21-
InChIKeyZCCRSZRSZCTXEV-DAFNUICNSA-N
MW335.45 g/mol
LogP4.55
Rot. Bonds3

About N-[(E)-[4-(8H-benzo[7]annulen-5-yl)phenyl]-cyclohexa-2,4-dien-1-ylidenemethyl]methanimine

N-[(E)-[4-(8H-benzo[7]annulen-5-yl)phenyl]-cyclohexa-2,4-dien-1-ylidenemethyl]methanimine (PubChem CID 142324142) has the molecular formula C25H21N and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[(E)-[4-(8H-benzo[7]annulen-5-yl)phenyl]-cyclohexa-2,4-dien-1-ylidenemethyl]methanimine.

Molecular Properties

Compound NameN-[(E)-[4-(8H-benzo[7]annulen-5-yl)phenyl]-cyclohexa-2,4-dien-1-ylidenemethyl]methanimine
PubChem CID142324142
Molecular FormulaC25H21N
Molecular Weight335.45 g/mol
Exact Mass335.17
IUPAC NameN-[(E)-[4-(8H-benzo[7]annulen-5-yl)phenyl]-cyclohexa-2,4-dien-1-ylidenemethyl]methanimine
SMILESC=N/C(=C1/C=CC=CC1)c1ccc(C2=c3ccccc3=CCC=C2)cc1
InChIInChI=1S/C25H21N/c1-26-25(21-11-3-2-4-12-21)22-17-15-20(16-18-22)24-14-8-6-10-19-9-5-7-13-23(19)24/h2-5,7-11,13-18H,1,6,12H2/b25-21-
InChIKeyZCCRSZRSZCTXEV-DAFNUICNSA-N
XLogP4.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide
CID 142293657
N-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]ethanimine
CID 145442127
5-methyl-8H-benzo[7]annulene
CID 142246381
4-[4-[(E)-cyclohexa-2,4-dien-1-ylidene-(2-ethenylphenyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)benzene
CID 143283019
N'-(2-cyclohepta-1,4,6-trien-1-ylethyl)-4-methyl-N-methylidenebenzenecarboximidamide
CID 144569212
N-[(Z,3E)-1-cyclohepta-2,4,6-trien-1-yl-3-cyclohexa-2,4-dien-1-ylidenebut-1-enyl]methanimine;ethane;methanol
CID 143382097
1-(4-cyclohepta-1,4,6-trien-1-ylphenyl)ethanone
CID 143363628
(E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine
CID 142324458
2-[(E)-cyclohexa-2,4-dien-1-ylidene(1-triphenylen-2-ylethenylsulfanyl)methyl]triphenylene
CID 139372673
N'-[(2Z,5Z,7Z)-7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-7-cyclohexa-2,4-dien-1-ylidene-4-methylidene-1-phenylhepta-2,5-dien-3-yl]benzenecarboximidamide
CID 167256765
(E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene
CID 144856655
(5E)-5-butan-2-ylidenecyclohexa-1,3-diene
CID 10978663

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(8H-benzo[7]annulen-5-yl)phenyl]-cyclohexa-2,4-dien-1-ylidenemethyl]methanimine?
The IUPAC name of N-[(E)-[4-(8H-benzo[7]annulen-5-yl)phenyl]-cyclohexa-2,4-dien-1-ylidenemethyl]methanimine (CID 142324142) is N-[(E)-[4-(8H-benzo[7]annulen-5-yl)phenyl]-cyclohexa-2,4-dien-1-ylidenemethyl]methanimine.
What is the SMILES notation for N-[(E)-[4-(8H-benzo[7]annulen-5-yl)phenyl]-cyclohexa-2,4-dien-1-ylidenemethyl]methanimine?
The canonical SMILES for N-[(E)-[4-(8H-benzo[7]annulen-5-yl)phenyl]-cyclohexa-2,4-dien-1-ylidenemethyl]methanimine is C=N/C(=C1/C=CC=CC1)c1ccc(C2=c3ccccc3=CCC=C2)cc1.
What is the InChIKey of N-[(E)-[4-(8H-benzo[7]annulen-5-yl)phenyl]-cyclohexa-2,4-dien-1-ylidenemethyl]methanimine?
The InChIKey is ZCCRSZRSZCTXEV-DAFNUICNSA-N. The full InChI is InChI=1S/C25H21N/c1-26-25(21-11-3-2-4-12-21)22-17-15-20(16-18-22)24-14-8-6-10-19-9-5-7-13-23(19)24/h2-5,7-11,13-18H,1,6,12H2/b25-21-.
What are the key properties of N-[(E)-[4-(8H-benzo[7]annulen-5-yl)phenyl]-cyclohexa-2,4-dien-1-ylidenemethyl]methanimine?
N-[(E)-[4-(8H-benzo[7]annulen-5-yl)phenyl]-cyclohexa-2,4-dien-1-ylidenemethyl]methanimine has a molecular weight of 335.45 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(8H-benzo[7]annulen-5-yl)phenyl]-cyclohexa-2,4-dien-1-ylidenemethyl]methanimine is sourced from PubChem (CID 142324142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).