1-N,4-N-diphenylcyclohexa-2,5-diene-1,4-diimine

C18H14N2 — CID 3734703

IUPAC1-N,4-N-diphenylcyclohexa-2,5-diene-1,4-diimine
SMILESC1=CC(=Nc2ccccc2)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/b19-17-,20-18+
InChIKeyQLSPXVTVRFSANN-YAFCTCPESA-N
MW258.32 g/mol
LogP4.66
Rot. Bonds2

About 1-N,4-N-diphenylcyclohexa-2,5-diene-1,4-diimine

1-N,4-N-diphenylcyclohexa-2,5-diene-1,4-diimine (PubChem CID 3734703) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-N,4-N-diphenylcyclohexa-2,5-diene-1,4-diimine.

Molecular Properties

Compound Name1-N,4-N-diphenylcyclohexa-2,5-diene-1,4-diimine
PubChem CID3734703
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name1-N,4-N-diphenylcyclohexa-2,5-diene-1,4-diimine
SMILESC1=CC(=Nc2ccccc2)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/b19-17-,20-18+
InChIKeyQLSPXVTVRFSANN-YAFCTCPESA-N
XLogP4.66
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Azobenzene
CID 2272
N,N'-Methanetetraylbis(benzenamine)
CID 98693
N-cyclohexylideneaniline
CID 315516
4-(Phenylamino)-2-(phenylimino)-3-pentene
CID 1284736
Benzenamine, N-(4-((1,3-dimethylbutyl)imino)-2,5-cyclohexadien-1-ylidene)-
CID 10220983
N,N'-Propanediylidenedianiline
CID 111090
Benzenamine, N-(2-methyl-1-propenylidene)-
CID 637803
2,5-diamino-N,N'-di-(4-aminophenyl)-2,5-cyclohexadiene-1,4-diimine
CID 159881
1,4-Benzenediamine, N,N'-bis(1-methylhexylidene)-
CID 71330516
N-{4-[(propan-2-yl)imino]cyclohexa-2,5-dien-1-ylidene}aniline
CID 4552784
N-[(Z)-4-phenyliminopent-2-en-2-yl]aniline
CID 5502890
N,N'-2,5-Cylcohexadiene-1,4-diylidenebis-1,4-benzenediamine
CID 10880735

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-diphenylcyclohexa-2,5-diene-1,4-diimine?
The IUPAC name of 1-N,4-N-diphenylcyclohexa-2,5-diene-1,4-diimine (CID 3734703) is 1-N,4-N-diphenylcyclohexa-2,5-diene-1,4-diimine.
What is the SMILES notation for 1-N,4-N-diphenylcyclohexa-2,5-diene-1,4-diimine?
The canonical SMILES for 1-N,4-N-diphenylcyclohexa-2,5-diene-1,4-diimine is C1=CC(=Nc2ccccc2)C=CC1=Nc1ccccc1.
What is the InChIKey of 1-N,4-N-diphenylcyclohexa-2,5-diene-1,4-diimine?
The InChIKey is QLSPXVTVRFSANN-YAFCTCPESA-N. 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/b19-17-,20-18+.
What are the key properties of 1-N,4-N-diphenylcyclohexa-2,5-diene-1,4-diimine?
1-N,4-N-diphenylcyclohexa-2,5-diene-1,4-diimine has a molecular weight of 258.32 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-diphenylcyclohexa-2,5-diene-1,4-diimine is sourced from PubChem (CID 3734703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).