N-(2-methylprop-1-enyl)-4-(2-phenylprop-1-enyl)-N-[4-(2-phenylprop-1-enyl)phenyl]aniline

C34H33N — CID 74063844

IUPACN-(2-methylprop-1-enyl)-4-(2-phenylprop-1-enyl)-N-[4-(2-phenylprop-1-enyl)phenyl]aniline
SMILESCC(C)=CN(c1ccc(C=C(C)c2ccccc2)cc1)c1ccc(C=C(C)c2ccccc2)cc1
InChIInChI=1S/C34H33N/c1-26(2)25-35(33-19-15-29(16-20-33)23-27(3)31-11-7-5-8-12-31)34-21-17-30(18-22-34)24-28(4)32-13-9-6-10-14-32/h5-25H,1-4H3
InChIKeyCUSSKCBTFIMOFE-UHFFFAOYSA-N
MW455.65 g/mol
LogP9.87
Rot. Bonds7

About N-(2-methylprop-1-enyl)-4-(2-phenylprop-1-enyl)-N-[4-(2-phenylprop-1-enyl)phenyl]aniline

N-(2-methylprop-1-enyl)-4-(2-phenylprop-1-enyl)-N-[4-(2-phenylprop-1-enyl)phenyl]aniline (PubChem CID 74063844) has the molecular formula C34H33N and a molecular weight of 455.65 g/mol. Its IUPAC name is N-(2-methylprop-1-enyl)-4-(2-phenylprop-1-enyl)-N-[4-(2-phenylprop-1-enyl)phenyl]aniline.

Molecular Properties

Compound NameN-(2-methylprop-1-enyl)-4-(2-phenylprop-1-enyl)-N-[4-(2-phenylprop-1-enyl)phenyl]aniline
PubChem CID74063844
Molecular FormulaC34H33N
Molecular Weight455.65 g/mol
Exact Mass455.26
IUPAC NameN-(2-methylprop-1-enyl)-4-(2-phenylprop-1-enyl)-N-[4-(2-phenylprop-1-enyl)phenyl]aniline
SMILESCC(C)=CN(c1ccc(C=C(C)c2ccccc2)cc1)c1ccc(C=C(C)c2ccccc2)cc1
InChIInChI=1S/C34H33N/c1-26(2)25-35(33-19-15-29(16-20-33)23-27(3)31-11-7-5-8-12-31)34-21-17-30(18-22-34)24-28(4)32-13-9-6-10-14-32/h5-25H,1-4H3
InChIKeyCUSSKCBTFIMOFE-UHFFFAOYSA-N
XLogP9.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.65
LogP ≤ 59.87
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

4-(2-phenylprop-1-enyl)phenol
CID 54547938
1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene
CID 156672934
1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene
CID 101427630
4-[2-[4-[2-[4-[N,4-bis(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]-N-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]aniline
CID 76826398
4-methyl-N-(4-methylphenyl)-N-[4-[4-[1-[4-(N-phenylanilino)phenyl]prop-1-en-2-yl]phenyl]phenyl]aniline
CID 76600728
1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
CID 58019403
4-[(Z)-1-phenylprop-1-en-2-yl]pyridine
CID 14770496
1,4-bis[2-[2-(2-phenylprop-1-enyl)phenyl]ethenyl]benzene
CID 59120075
N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-(2,2-diphenylethenyl)-N,N-diphenylaniline;N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-(2,2-diphenylethyl)-N-(2-methylprop-1-enyl)-N-phenylaniline
CID 159382717
1-iodoprop-1-en-2-ylbenzene
CID 54065087
N,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline
CID 23547422
1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene
CID 15520037

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-1-enyl)-4-(2-phenylprop-1-enyl)-N-[4-(2-phenylprop-1-enyl)phenyl]aniline?
The IUPAC name of N-(2-methylprop-1-enyl)-4-(2-phenylprop-1-enyl)-N-[4-(2-phenylprop-1-enyl)phenyl]aniline (CID 74063844) is N-(2-methylprop-1-enyl)-4-(2-phenylprop-1-enyl)-N-[4-(2-phenylprop-1-enyl)phenyl]aniline.
What is the SMILES notation for N-(2-methylprop-1-enyl)-4-(2-phenylprop-1-enyl)-N-[4-(2-phenylprop-1-enyl)phenyl]aniline?
The canonical SMILES for N-(2-methylprop-1-enyl)-4-(2-phenylprop-1-enyl)-N-[4-(2-phenylprop-1-enyl)phenyl]aniline is CC(C)=CN(c1ccc(C=C(C)c2ccccc2)cc1)c1ccc(C=C(C)c2ccccc2)cc1.
What is the InChIKey of N-(2-methylprop-1-enyl)-4-(2-phenylprop-1-enyl)-N-[4-(2-phenylprop-1-enyl)phenyl]aniline?
The InChIKey is CUSSKCBTFIMOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N/c1-26(2)25-35(33-19-15-29(16-20-33)23-27(3)31-11-7-5-8-12-31)34-21-17-30(18-22-34)24-28(4)32-13-9-6-10-14-32/h5-25H,1-4H3.
What are the key properties of N-(2-methylprop-1-enyl)-4-(2-phenylprop-1-enyl)-N-[4-(2-phenylprop-1-enyl)phenyl]aniline?
N-(2-methylprop-1-enyl)-4-(2-phenylprop-1-enyl)-N-[4-(2-phenylprop-1-enyl)phenyl]aniline has a molecular weight of 455.65 g/mol, XLogP of 9.87, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-1-enyl)-4-(2-phenylprop-1-enyl)-N-[4-(2-phenylprop-1-enyl)phenyl]aniline is sourced from PubChem (CID 74063844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).