4-(4-aminophenyl)-5,6-dibenzylidenecyclohexa-1,3-dien-1-amine

C26H22N2 — CID 87822370

IUPAC4-(4-aminophenyl)-5,6-dibenzylidenecyclohexa-1,3-dien-1-amine
SMILESNc1ccc(-c2ccc(N)c(=Cc3ccccc3)c2=Cc2ccccc2)cc1
InChIInChI=1S/C26H22N2/c27-22-13-11-21(12-14-22)23-15-16-26(28)25(18-20-9-5-2-6-10-20)24(23)17-19-7-3-1-4-8-19/h1-18H,27-28H2
InChIKeyFSOVNSIUJBEVEU-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.18
Rot. Bonds3

About 4-(4-aminophenyl)-5,6-dibenzylidenecyclohexa-1,3-dien-1-amine

4-(4-aminophenyl)-5,6-dibenzylidenecyclohexa-1,3-dien-1-amine (PubChem CID 87822370) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-(4-aminophenyl)-5,6-dibenzylidenecyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-(4-aminophenyl)-5,6-dibenzylidenecyclohexa-1,3-dien-1-amine
PubChem CID87822370
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC Name4-(4-aminophenyl)-5,6-dibenzylidenecyclohexa-1,3-dien-1-amine
SMILESNc1ccc(-c2ccc(N)c(=Cc3ccccc3)c2=Cc2ccccc2)cc1
InChIInChI=1S/C26H22N2/c27-22-13-11-21(12-14-22)23-15-16-26(28)25(18-20-9-5-2-6-10-20)24(23)17-19-7-3-1-4-8-19/h1-18H,27-28H2
InChIKeyFSOVNSIUJBEVEU-UHFFFAOYSA-N
XLogP4.18
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-aminophenyl)-5,6-dibenzylidenecyclohexa-1,3-dien-1-amine 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

4-(4-aminophenyl)-2,3-bis(2-phenylethenyl)aniline
CID 66757843
4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
4-(4-aminophenyl)benzene-1,2,3-triamine;hydrogen peroxide
CID 87166160
4-(2-phenylethenyl)aniline
CID 13265
aniline;4-(3,4-diaminophenyl)benzene-1,2-diamine
CID 160814118
4-(2-phenylphenyl)benzene-1,2-diamine
CID 122667618
2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline
CID 161385819
4-(4-aminophenyl)-3-(2-methylphenyl)benzene-1,2-diamine
CID 141121042
4-[2-(4-aminophenyl)phenyl]-2,3-bis(trifluoromethyl)aniline
CID 154008592
4-[4-(4-aminophenyl)phenyl]-3-(3-phenylphenyl)aniline
CID 150238905
4-(4-chloronaphthalen-1-yl)aniline
CID 79597038
4-phenyl-2-(4-phenylphenyl)aniline
CID 153492708

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-5,6-dibenzylidenecyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-(4-aminophenyl)-5,6-dibenzylidenecyclohexa-1,3-dien-1-amine (CID 87822370) is 4-(4-aminophenyl)-5,6-dibenzylidenecyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-(4-aminophenyl)-5,6-dibenzylidenecyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-(4-aminophenyl)-5,6-dibenzylidenecyclohexa-1,3-dien-1-amine is Nc1ccc(-c2ccc(N)c(=Cc3ccccc3)c2=Cc2ccccc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)-5,6-dibenzylidenecyclohexa-1,3-dien-1-amine?
The InChIKey is FSOVNSIUJBEVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2/c27-22-13-11-21(12-14-22)23-15-16-26(28)25(18-20-9-5-2-6-10-20)24(23)17-19-7-3-1-4-8-19/h1-18H,27-28H2.
What are the key properties of 4-(4-aminophenyl)-5,6-dibenzylidenecyclohexa-1,3-dien-1-amine?
4-(4-aminophenyl)-5,6-dibenzylidenecyclohexa-1,3-dien-1-amine has a molecular weight of 362.48 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-5,6-dibenzylidenecyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 87822370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).