N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline

C31H29N — CID 72543320

IUPACN-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
SMILESCc1ccc(C=Cc2ccc(N(C)c3ccc(C=Cc4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C31H29N/c1-24-4-8-26(9-5-24)12-14-28-16-20-30(21-17-28)32(3)31-22-18-29(19-23-31)15-13-27-10-6-25(2)7-11-27/h4-23H,1-3H3
InChIKeyLNIROHZROAXSFQ-UHFFFAOYSA-N
MW415.58 g/mol
LogP8.41
Rot. Bonds6

About N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline

N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline (PubChem CID 72543320) has the molecular formula C31H29N and a molecular weight of 415.58 g/mol. Its IUPAC name is N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
PubChem CID72543320
Molecular FormulaC31H29N
Molecular Weight415.58 g/mol
Exact Mass415.23
IUPAC NameN-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
SMILESCc1ccc(C=Cc2ccc(N(C)c3ccc(C=Cc4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C31H29N/c1-24-4-8-26(9-5-24)12-14-28-16-20-30(21-17-28)32(3)31-22-18-29(19-23-31)15-13-27-10-6-25(2)7-11-27/h4-23H,1-3H3
InChIKeyLNIROHZROAXSFQ-UHFFFAOYSA-N
XLogP8.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline?
The IUPAC name of N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline (CID 72543320) is N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline.
What is the SMILES notation for N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline?
The canonical SMILES for N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline is Cc1ccc(C=Cc2ccc(N(C)c3ccc(C=Cc4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline?
The InChIKey is LNIROHZROAXSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N/c1-24-4-8-26(9-5-24)12-14-28-16-20-30(21-17-28)32(3)31-22-18-29(19-23-31)15-13-27-10-6-25(2)7-11-27/h4-23H,1-3H3.
What are the key properties of N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline?
N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline has a molecular weight of 415.58 g/mol, XLogP of 8.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline is sourced from PubChem (CID 72543320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).