4-methyl-N-(4-methylphenyl)-N-[4-[(10-pentan-3-ylideneanthracen-9-ylidene)methyl]phenyl]aniline

C40H37N — CID 22900133

IUPAC4-methyl-N-(4-methylphenyl)-N-[4-[(10-pentan-3-ylideneanthracen-9-ylidene)methyl]phenyl]aniline
SMILESCCC(CC)=c1c2ccccc2c(=Cc2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2ccccc12
InChIInChI=1S/C40H37N/c1-5-31(6-2)40-37-13-9-7-11-35(37)39(36-12-8-10-14-38(36)40)27-30-19-25-34(26-20-30)41(32-21-15-28(3)16-22-32)33-23-17-29(4)18-24-33/h7-27H,5-6H2,1-4H3
InChIKeyJVBXEWTZYGIMOJ-UHFFFAOYSA-N
MW531.74 g/mol
LogP9.88
Rot. Bonds6

About 4-methyl-N-(4-methylphenyl)-N-[4-[(10-pentan-3-ylideneanthracen-9-ylidene)methyl]phenyl]aniline

4-methyl-N-(4-methylphenyl)-N-[4-[(10-pentan-3-ylideneanthracen-9-ylidene)methyl]phenyl]aniline (PubChem CID 22900133) has the molecular formula C40H37N and a molecular weight of 531.74 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-N-[4-[(10-pentan-3-ylideneanthracen-9-ylidene)methyl]phenyl]aniline.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-N-[4-[(10-pentan-3-ylideneanthracen-9-ylidene)methyl]phenyl]aniline
PubChem CID22900133
Molecular FormulaC40H37N
Molecular Weight531.74 g/mol
Exact Mass531.29
IUPAC Name4-methyl-N-(4-methylphenyl)-N-[4-[(10-pentan-3-ylideneanthracen-9-ylidene)methyl]phenyl]aniline
SMILESCCC(CC)=c1c2ccccc2c(=Cc2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2ccccc12
InChIInChI=1S/C40H37N/c1-5-31(6-2)40-37-13-9-7-11-35(37)39(36-12-8-10-14-38(36)40)27-30-19-25-34(26-20-30)41(32-21-15-28(3)16-22-32)33-23-17-29(4)18-24-33/h7-27H,5-6H2,1-4H3
InChIKeyJVBXEWTZYGIMOJ-UHFFFAOYSA-N
XLogP9.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.74
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-methyl-N-(4-methylphenyl)-N-[4-[(10-pentan-3-ylideneanthracen-9-ylidene)methyl]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

4-methyl-N,N-bis(4-methylphenyl)aniline;phenol
CID 70600913
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]aniline
CID 58933310
4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenol
CID 20686206
4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine
CID 59221804
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]phenyl]aniline
CID 89314584
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
1-N,3-N,5-N-tris(4-methylphenyl)-1-N,3-N,5-N-tris[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3,5-triamine
CID 121421564
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 118284207
N,N-diethyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 58518835
1-N,4-N-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]-1-N,4-N-bis[4-(2-phenylethenyl)phenyl]naphthalene-1,4-diamine
CID 72522022

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-[(10-pentan-3-ylideneanthracen-9-ylidene)methyl]phenyl]aniline?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-[(10-pentan-3-ylideneanthracen-9-ylidene)methyl]phenyl]aniline (CID 22900133) is 4-methyl-N-(4-methylphenyl)-N-[4-[(10-pentan-3-ylideneanthracen-9-ylidene)methyl]phenyl]aniline.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-N-[4-[(10-pentan-3-ylideneanthracen-9-ylidene)methyl]phenyl]aniline?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-N-[4-[(10-pentan-3-ylideneanthracen-9-ylidene)methyl]phenyl]aniline is CCC(CC)=c1c2ccccc2c(=Cc2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2ccccc12.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-N-[4-[(10-pentan-3-ylideneanthracen-9-ylidene)methyl]phenyl]aniline?
The InChIKey is JVBXEWTZYGIMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37N/c1-5-31(6-2)40-37-13-9-7-11-35(37)39(36-12-8-10-14-38(36)40)27-30-19-25-34(26-20-30)41(32-21-15-28(3)16-22-32)33-23-17-29(4)18-24-33/h7-27H,5-6H2,1-4H3.
What are the key properties of 4-methyl-N-(4-methylphenyl)-N-[4-[(10-pentan-3-ylideneanthracen-9-ylidene)methyl]phenyl]aniline?
4-methyl-N-(4-methylphenyl)-N-[4-[(10-pentan-3-ylideneanthracen-9-ylidene)methyl]phenyl]aniline has a molecular weight of 531.74 g/mol, XLogP of 9.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)-N-[4-[(10-pentan-3-ylideneanthracen-9-ylidene)methyl]phenyl]aniline is sourced from PubChem (CID 22900133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).