4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylbuta-1,3-dienyl)phenyl]aniline

C30H27N — CID 173389994

IUPAC4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylbuta-1,3-dienyl)phenyl]aniline
SMILESC=CC=C(c1ccccc1)c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H27N/c1-4-8-30(25-9-6-5-7-10-25)26-15-21-29(22-16-26)31(27-17-11-23(2)12-18-27)28-19-13-24(3)14-20-28/h4-22H,1H2,2-3H3
InChIKeyJTMUEXHQLRDOSV-UHFFFAOYSA-N
MW401.55 g/mol
LogP8.39
Rot. Bonds6

About 4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylbuta-1,3-dienyl)phenyl]aniline

4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylbuta-1,3-dienyl)phenyl]aniline (PubChem CID 173389994) has the molecular formula C30H27N and a molecular weight of 401.55 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylbuta-1,3-dienyl)phenyl]aniline.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylbuta-1,3-dienyl)phenyl]aniline
PubChem CID173389994
Molecular FormulaC30H27N
Molecular Weight401.55 g/mol
Exact Mass401.21
IUPAC Name4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylbuta-1,3-dienyl)phenyl]aniline
SMILESC=CC=C(c1ccccc1)c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H27N/c1-4-8-30(25-9-6-5-7-10-25)26-15-21-29(22-16-26)31(27-17-11-23(2)12-18-27)28-19-13-24(3)14-20-28/h4-22H,1H2,2-3H3
InChIKeyJTMUEXHQLRDOSV-UHFFFAOYSA-N
XLogP8.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
4-[(1E,3E)-1,4-diphenyl-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-N,N-diphenylaniline
CID 59084118
1-phenylbuta-1,3-dienylbenzene;samarium
CID 173396801
N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline
CID 155077496
4-[4,4-bis(4-methylphenyl)-1-phenylbuta-1,3-dienyl]-N,N-dipropylaniline
CID 54020177
N-[4-[4-(N-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-phenylaniline
CID 166937509
4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde
CID 59080163
2-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)aniline
CID 20685596
1,4-dimethyl-2-[(1E)-1-phenylbuta-1,3-dienyl]benzene
CID 102501340
3-chloro-4-[(E)-2-(4-methylphenyl)-2-phenylethenyl]-N,N-diphenylaniline
CID 154527272
N-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 143445033
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylbuta-1,3-dienyl)phenyl]aniline?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylbuta-1,3-dienyl)phenyl]aniline (CID 173389994) is 4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylbuta-1,3-dienyl)phenyl]aniline.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylbuta-1,3-dienyl)phenyl]aniline?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylbuta-1,3-dienyl)phenyl]aniline is C=CC=C(c1ccccc1)c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylbuta-1,3-dienyl)phenyl]aniline?
The InChIKey is JTMUEXHQLRDOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N/c1-4-8-30(25-9-6-5-7-10-25)26-15-21-29(22-16-26)31(27-17-11-23(2)12-18-27)28-19-13-24(3)14-20-28/h4-22H,1H2,2-3H3.
What are the key properties of 4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylbuta-1,3-dienyl)phenyl]aniline?
4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylbuta-1,3-dienyl)phenyl]aniline has a molecular weight of 401.55 g/mol, XLogP of 8.39, 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-(1-phenylbuta-1,3-dienyl)phenyl]aniline is sourced from PubChem (CID 173389994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).