N-[3-[4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]phenyl]pentan-3-yl]aniline

C34H37N — CID 122484933

IUPACN-[3-[4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]phenyl]pentan-3-yl]aniline
SMILESCCC(CC)(Nc1ccccc1)c1ccc(C=C(c2ccc(C)cc2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C34H37N/c1-6-34(7-2,35-32-11-9-8-10-12-32)31-21-16-28(17-22-31)24-33(29-18-13-25(3)14-19-29)30-20-15-26(4)27(5)23-30/h8-24,35H,6-7H2,1-5H3
InChIKeyFWZQLRXRNDRALN-UHFFFAOYSA-N
MW459.68 g/mol
LogP9.33
Rot. Bonds8

About N-[3-[4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]phenyl]pentan-3-yl]aniline

N-[3-[4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]phenyl]pentan-3-yl]aniline (PubChem CID 122484933) has the molecular formula C34H37N and a molecular weight of 459.68 g/mol. Its IUPAC name is N-[3-[4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]phenyl]pentan-3-yl]aniline.

Molecular Properties

Compound NameN-[3-[4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]phenyl]pentan-3-yl]aniline
PubChem CID122484933
Molecular FormulaC34H37N
Molecular Weight459.68 g/mol
Exact Mass459.29
IUPAC NameN-[3-[4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]phenyl]pentan-3-yl]aniline
SMILESCCC(CC)(Nc1ccccc1)c1ccc(C=C(c2ccc(C)cc2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C34H37N/c1-6-34(7-2,35-32-11-9-8-10-12-32)31-21-16-28(17-22-31)24-33(29-18-13-25(3)14-19-29)30-20-15-26(4)27(5)23-30/h8-24,35H,6-7H2,1-5H3
InChIKeyFWZQLRXRNDRALN-UHFFFAOYSA-N
XLogP9.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.68
LogP ≤ 59.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline
CID 58665582
N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-4-methylaniline
CID 58665566
N-[3-[4-[2-(3,5-dimethylphenyl)ethenyl]phenyl]pentan-3-yl]aniline
CID 122484984
N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4,6-trimethylaniline
CID 58665589
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline
CID 122484978
tetrakis[4-[2-[4-(4-methylphenyl)phenyl]-1-phenylethenyl]phenyl]germane
CID 154407148
[(4Z)-4-[[4-[2-[4-[(E)-2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]pentan-2-ylamino]phenyl]methylidene]-1-ethyl-5-oxoimidazol-2-yl] hydrogen sulfate
CID 89309968
N-[4-[2-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-3,4-dimethylaniline
CID 72573967
9-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-6,12-dimethyl-3-N,9-N-bis(4-methylphenyl)-3-N-[4-[(Z)-2-(4-methylphenyl)-2-phenylethenyl]phenyl]perylene-3,9-diamine
CID 20816635
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856
1-[(Z)-2-[3,5-bis[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]-3,5-bis[2,2-bis(4-methylphenyl)ethenyl]benzene
CID 163829101

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]phenyl]pentan-3-yl]aniline?
The IUPAC name of N-[3-[4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]phenyl]pentan-3-yl]aniline (CID 122484933) is N-[3-[4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]phenyl]pentan-3-yl]aniline.
What is the SMILES notation for N-[3-[4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]phenyl]pentan-3-yl]aniline?
The canonical SMILES for N-[3-[4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]phenyl]pentan-3-yl]aniline is CCC(CC)(Nc1ccccc1)c1ccc(C=C(c2ccc(C)cc2)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[3-[4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]phenyl]pentan-3-yl]aniline?
The InChIKey is FWZQLRXRNDRALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N/c1-6-34(7-2,35-32-11-9-8-10-12-32)31-21-16-28(17-22-31)24-33(29-18-13-25(3)14-19-29)30-20-15-26(4)27(5)23-30/h8-24,35H,6-7H2,1-5H3.
What are the key properties of N-[3-[4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]phenyl]pentan-3-yl]aniline?
N-[3-[4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]phenyl]pentan-3-yl]aniline has a molecular weight of 459.68 g/mol, XLogP of 9.33, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]phenyl]pentan-3-yl]aniline is sourced from PubChem (CID 122484933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).