4-N-cyclohexa-1,5-dien-1-yl-4-N-phenylnaphthalene-1,4-diamine

C22H20N2 — CID 145158036

IUPAC4-N-cyclohexa-1,5-dien-1-yl-4-N-phenylnaphthalene-1,4-diamine
SMILESNc1ccc(N(C2=CCCC=C2)c2ccccc2)c2ccccc12
InChIInChI=1S/C22H20N2/c23-21-15-16-22(20-14-8-7-13-19(20)21)24(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1,3-5,7-16H,2,6,23H2
InChIKeyLFAFXBQHZMQXGZ-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.79
Rot. Bonds3

About 4-N-cyclohexa-1,5-dien-1-yl-4-N-phenylnaphthalene-1,4-diamine

4-N-cyclohexa-1,5-dien-1-yl-4-N-phenylnaphthalene-1,4-diamine (PubChem CID 145158036) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-N-cyclohexa-1,5-dien-1-yl-4-N-phenylnaphthalene-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexa-1,5-dien-1-yl-4-N-phenylnaphthalene-1,4-diamine
PubChem CID145158036
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name4-N-cyclohexa-1,5-dien-1-yl-4-N-phenylnaphthalene-1,4-diamine
SMILESNc1ccc(N(C2=CCCC=C2)c2ccccc2)c2ccccc12
InChIInChI=1S/C22H20N2/c23-21-15-16-22(20-14-8-7-13-19(20)21)24(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1,3-5,7-16H,2,6,23H2
InChIKeyLFAFXBQHZMQXGZ-UHFFFAOYSA-N
XLogP5.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-cyclohexa-1,5-dien-1-yl-4-N-phenylnaphthalene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-cyclohexa-1,5-dien-1-yl-1-N,1-N,6-N-triphenylpyrene-1,6-diamine
CID 129054725
N-cyclohexa-1,5-dien-1-yl-4-[16-[4-(N-cyclohexa-1,5-dien-1-ylanilino)naphthalen-1-yl]-8,13-dithiahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaen-5-yl]-N-phenylnaphthalen-1-amine
CID 89104673
N-cyclohexa-1,5-dien-1-yl-4-[4-[N-cyclohexa-1,5-dien-1-yl-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]-N-phenylaniline
CID 139394363
10-N-cyclohexa-1,5-dien-1-yl-9-N,9-N,10-N,2-tetraphenylanthracene-9,10-diamine
CID 89189854
N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane
CID 144615927
N-cyclohexa-1,5-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline
CID 71051952
N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2-phenylindol-1-yl)phenyl]phenyl]naphthalen-1-amine
CID 134236286
6-N-cyclohexa-1,5-dien-1-yl-1-N,1-N,6-N-triphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 145436467
1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163885983
1-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-diphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]benzene-1,4-diamine
CID 71017943
N-cyclohexa-1,5-dien-1-yl-N-(methylideneamino)aniline
CID 146563747
N-cyclohexa-1,5-dien-1-yl-N-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;ethane
CID 145177184

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexa-1,5-dien-1-yl-4-N-phenylnaphthalene-1,4-diamine?
The IUPAC name of 4-N-cyclohexa-1,5-dien-1-yl-4-N-phenylnaphthalene-1,4-diamine (CID 145158036) is 4-N-cyclohexa-1,5-dien-1-yl-4-N-phenylnaphthalene-1,4-diamine.
What is the SMILES notation for 4-N-cyclohexa-1,5-dien-1-yl-4-N-phenylnaphthalene-1,4-diamine?
The canonical SMILES for 4-N-cyclohexa-1,5-dien-1-yl-4-N-phenylnaphthalene-1,4-diamine is Nc1ccc(N(C2=CCCC=C2)c2ccccc2)c2ccccc12.
What is the InChIKey of 4-N-cyclohexa-1,5-dien-1-yl-4-N-phenylnaphthalene-1,4-diamine?
The InChIKey is LFAFXBQHZMQXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c23-21-15-16-22(20-14-8-7-13-19(20)21)24(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1,3-5,7-16H,2,6,23H2.
What are the key properties of 4-N-cyclohexa-1,5-dien-1-yl-4-N-phenylnaphthalene-1,4-diamine?
4-N-cyclohexa-1,5-dien-1-yl-4-N-phenylnaphthalene-1,4-diamine has a molecular weight of 312.42 g/mol, XLogP of 5.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexa-1,5-dien-1-yl-4-N-phenylnaphthalene-1,4-diamine is sourced from PubChem (CID 145158036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).