4-(4-aminophenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)phenyl]aniline

C48H41N3 — CID 67903713

IUPAC4-(4-aminophenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)phenyl]aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C=C3c4ccccc4C=Cc4ccccc43)cc2)cc1.Nc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C36H29N.C12H12N2/c1-26-11-19-31(20-12-26)37(32-21-13-27(2)14-22-32)33-23-15-28(16-24-33)25-36-34-9-5-3-7-29(34)17-18-30-8-4-6-10-35(30)36;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h3-25H,1-2H3;1-8H,13-14H2
InChIKeyJWVGQZTYKCUECJ-UHFFFAOYSA-N
MW659.88 g/mol
LogP12.36
Rot. Bonds5

About 4-(4-aminophenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)phenyl]aniline

4-(4-aminophenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)phenyl]aniline (PubChem CID 67903713) has the molecular formula C48H41N3 and a molecular weight of 659.88 g/mol. Its IUPAC name is 4-(4-aminophenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)phenyl]aniline.

Molecular Properties

Compound Name4-(4-aminophenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)phenyl]aniline
PubChem CID67903713
Molecular FormulaC48H41N3
Molecular Weight659.88 g/mol
Exact Mass659.33
IUPAC Name4-(4-aminophenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)phenyl]aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C=C3c4ccccc4C=Cc4ccccc43)cc2)cc1.Nc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C36H29N.C12H12N2/c1-26-11-19-31(20-12-26)37(32-21-13-27(2)14-22-32)33-23-15-28(16-24-33)25-36-34-9-5-3-7-29(34)17-18-30-8-4-6-10-35(30)36;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h3-25H,1-2H3;1-8H,13-14H2
InChIKeyJWVGQZTYKCUECJ-UHFFFAOYSA-N
XLogP12.36
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.88
LogP ≤ 512.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-aminophenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)phenyl]aniline 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

N,N-bis(4-tert-butylphenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)aniline
CID 22900167
4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;bis(4-methylaniline)
CID 142830870
4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline
CID 139760283
4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 22944349
4-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 18421146
2-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]indene-1,3-dione
CID 20617859
4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
CID 59805421
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine
CID 22013282
2-[5-[[4-(N-[4-[(6-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene)methyl]phenyl]anilino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 72555367
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
4-(4-aminophenyl)aniline;N,N-diphenylaniline
CID 67789837
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)phenyl]aniline?
The IUPAC name of 4-(4-aminophenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)phenyl]aniline (CID 67903713) is 4-(4-aminophenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)phenyl]aniline.
What is the SMILES notation for 4-(4-aminophenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)phenyl]aniline?
The canonical SMILES for 4-(4-aminophenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)phenyl]aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=C3c4ccccc4C=Cc4ccccc43)cc2)cc1.Nc1ccc(-c2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)phenyl]aniline?
The InChIKey is JWVGQZTYKCUECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29N.C12H12N2/c1-26-11-19-31(20-12-26)37(32-21-13-27(2)14-22-32)33-23-15-28(16-24-33)25-36-34-9-5-3-7-29(34)17-18-30-8-4-6-10-35(30)36;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h3-25H,1-2H3;1-8H,13-14H2.
What are the key properties of 4-(4-aminophenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)phenyl]aniline?
4-(4-aminophenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)phenyl]aniline has a molecular weight of 659.88 g/mol, XLogP of 12.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)phenyl]aniline is sourced from PubChem (CID 67903713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).