4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidenemethyl)phenyl]aniline

C36H31N — CID 59716175

IUPAC4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidenemethyl)phenyl]aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C=C3c4ccccc4C=CC4C=CC=CC34)cc2)cc1
InChIInChI=1S/C36H31N/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/h3-25,29,34H,1-2H3
InChIKeyQOKKBFFFGZQCBV-UHFFFAOYSA-N
MW477.65 g/mol
LogP9.70
Rot. Bonds4

About 4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidenemethyl)phenyl]aniline

4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidenemethyl)phenyl]aniline (PubChem CID 59716175) has the molecular formula C36H31N and a molecular weight of 477.65 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidenemethyl)phenyl]aniline.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidenemethyl)phenyl]aniline
PubChem CID59716175
Molecular FormulaC36H31N
Molecular Weight477.65 g/mol
Exact Mass477.25
IUPAC Name4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidenemethyl)phenyl]aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C=C3c4ccccc4C=CC4C=CC=CC34)cc2)cc1
InChIInChI=1S/C36H31N/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/h3-25,29,34H,1-2H3
InChIKeyQOKKBFFFGZQCBV-UHFFFAOYSA-N
XLogP9.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidenemethyl)phenyl]aniline with MolForge

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Related Compounds

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
4-methyl-N-[4-[(E)-2-[2-[2-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 67043605
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
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
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
6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine
CID 20733792
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
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,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
CID 59805421
4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline
CID 59920498
1-[(1E)-1-[(4-chlorophenyl)methylidene]-2H-naphthalen-2-yl]propan-2-one
CID 132530201
4-methyl-N-(4-methylphenyl)-N-[4-[2-[4-(4-prop-1-enylphenyl)phenyl]ethenyl]phenyl]aniline
CID 58785033

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidenemethyl)phenyl]aniline?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidenemethyl)phenyl]aniline (CID 59716175) is 4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidenemethyl)phenyl]aniline.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidenemethyl)phenyl]aniline?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidenemethyl)phenyl]aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=C3c4ccccc4C=CC4C=CC=CC34)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidenemethyl)phenyl]aniline?
The InChIKey is QOKKBFFFGZQCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N/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/h3-25,29,34H,1-2H3.
What are the key properties of 4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidenemethyl)phenyl]aniline?
4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidenemethyl)phenyl]aniline has a molecular weight of 477.65 g/mol, XLogP of 9.70, 4 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-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaenylidenemethyl)phenyl]aniline is sourced from PubChem (CID 59716175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).