methane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline

C31H33N — CID 158838824

IUPACmethane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline
SMILESC.Cc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2C)cc1
InChIInChI=1S/C30H29N.CH4/c1-22-5-11-26(12-6-22)13-14-27-15-20-30(21-25(27)4)31(28-16-7-23(2)8-17-28)29-18-9-24(3)10-19-29;/h5-21H,1-4H3;1H4/b14-13+;
InChIKeyIXZAGZQNAOPDDX-IERUDJENSA-N
MW419.61 g/mol
LogP9.20
Rot. Bonds5

About methane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline

methane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline (PubChem CID 158838824) has the molecular formula C31H33N and a molecular weight of 419.61 g/mol. Its IUPAC name is methane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline.

Molecular Properties

Compound Namemethane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline
PubChem CID158838824
Molecular FormulaC31H33N
Molecular Weight419.61 g/mol
Exact Mass419.26
IUPAC Namemethane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline
SMILESC.Cc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2C)cc1
InChIInChI=1S/C30H29N.CH4/c1-22-5-11-26(12-6-22)13-14-27-15-20-30(21-25(27)4)31(28-16-7-23(2)8-17-28)29-18-9-24(3)10-19-29;/h5-21H,1-4H3;1H4/b14-13+;
InChIKeyIXZAGZQNAOPDDX-IERUDJENSA-N
XLogP9.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.61
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline
CID 59805392
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-[(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
N-[4-[2-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 123191031
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
3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline
CID 54520687
N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59366099
2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane
CID 161062923
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
azane;2,4-dimethylbenzaldehyde;N-[4-[2-(2,4-dimethylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methylaniline;1,4-xylene
CID 159134998
4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-2-methyl-N,N-bis(4-methylphenyl)aniline
CID 58841592

Frequently Asked Questions

What is the IUPAC name of methane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline?
The IUPAC name of methane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline (CID 158838824) is methane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline.
What is the SMILES notation for methane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline?
The canonical SMILES for methane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline is C.Cc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2C)cc1.
What is the InChIKey of methane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline?
The InChIKey is IXZAGZQNAOPDDX-IERUDJENSA-N. The full InChI is InChI=1S/C30H29N.CH4/c1-22-5-11-26(12-6-22)13-14-27-15-20-30(21-25(27)4)31(28-16-7-23(2)8-17-28)29-18-9-24(3)10-19-29;/h5-21H,1-4H3;1H4/b14-13+;.
What are the key properties of methane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline?
methane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline has a molecular weight of 419.61 g/mol, XLogP of 9.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline is sourced from PubChem (CID 158838824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).