3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline

C50H44N2 — CID 59805392

IUPAC3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(C=Cc3ccc(C=Cc4ccc(N(c5ccccc5)c5ccc(C)cc5)cc4C)cc3)c(C)c2)cc1
InChIInChI=1S/C50H44N2/c1-37-15-29-47(30-16-37)51(45-11-7-5-8-12-45)49-33-27-43(39(3)35-49)25-23-41-19-21-42(22-20-41)24-26-44-28-34-50(36-40(44)4)52(46-13-9-6-10-14-46)48-31-17-38(2)18-32-48/h5-36H,1-4H3
InChIKeyOHVZFCALHAIGRV-UHFFFAOYSA-N
MW672.92 g/mol
LogP14.20
Rot. Bonds10

About 3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline

3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline (PubChem CID 59805392) has the molecular formula C50H44N2 and a molecular weight of 672.92 g/mol. Its IUPAC name is 3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline
PubChem CID59805392
Molecular FormulaC50H44N2
Molecular Weight672.92 g/mol
Exact Mass672.35
IUPAC Name3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(C=Cc3ccc(C=Cc4ccc(N(c5ccccc5)c5ccc(C)cc5)cc4C)cc3)c(C)c2)cc1
InChIInChI=1S/C50H44N2/c1-37-15-29-47(30-16-37)51(45-11-7-5-8-12-45)49-33-27-43(39(3)35-49)25-23-41-19-21-42(22-20-41)24-26-44-28-34-50(36-40(44)4)52(46-13-9-6-10-14-46)48-31-17-38(2)18-32-48/h5-36H,1-4H3
InChIKeyOHVZFCALHAIGRV-UHFFFAOYSA-N
XLogP14.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.92
LogP ≤ 514.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline
CID 158838824
3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline
CID 54520687
3-methyl-4-[(E)-2-[2-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline
CID 22899848
4-methyl-N-[4-[(E)-2-[3-methyl-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 20734404
3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline
CID 22899863
3-methyl-4-[2-[4-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline
CID 59920425
4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline
CID 59920498
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
N-[4-[(E)-2-[2-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)-2-methylphenyl]ethenyl]phenyl]ethenyl]-3-methylphenyl]-3,4-dimethyl-N-phenylaniline
CID 22900179
N-[4-[2-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 123191031
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline?
The IUPAC name of 3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline (CID 59805392) is 3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline.
What is the SMILES notation for 3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline?
The canonical SMILES for 3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline is Cc1ccc(N(c2ccccc2)c2ccc(C=Cc3ccc(C=Cc4ccc(N(c5ccccc5)c5ccc(C)cc5)cc4C)cc3)c(C)c2)cc1.
What is the InChIKey of 3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline?
The InChIKey is OHVZFCALHAIGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N2/c1-37-15-29-47(30-16-37)51(45-11-7-5-8-12-45)49-33-27-43(39(3)35-49)25-23-41-19-21-42(22-20-41)24-26-44-28-34-50(36-40(44)4)52(46-13-9-6-10-14-46)48-31-17-38(2)18-32-48/h5-36H,1-4H3.
What are the key properties of 3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline?
3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline has a molecular weight of 672.92 g/mol, XLogP of 14.20, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline is sourced from PubChem (CID 59805392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).