3-methyl-4-[2-[2-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline

About 3-methyl-4-[2-[2-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline

3-methyl-4-[2-[2-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline (PubChem CID 59920412) has the molecular formula C52H48N2 and a molecular weight of 700.97 g/mol. Its IUPAC name is 3-methyl-4-[2-[2-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline.

Molecular Properties

Compound Name	3-methyl-4-[2-[2-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline
PubChem CID	59920412
Molecular Formula	C52H48N2
Molecular Weight	700.97 g/mol
Exact Mass	700.38
IUPAC Name	3-methyl-4-[2-[2-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline
SMILES	Cc1cccc(N(c2cccc(C)c2)c2ccc(C=Cc3ccccc3C=Cc3ccc(N(c4cccc(C)c4)c4cccc(C)c4)cc3C)c(C)c2)c1
InChI	InChI=1S/C52H48N2/c1-37-13-9-19-47(31-37)53(48-20-10-14-38(2)32-48)51-29-27-43(41(5)35-51)23-25-45-17-7-8-18-46(45)26-24-44-28-30-52(36-42(44)6)54(49-21-11-15-39(3)33-49)50-22-12-16-40(4)34-50/h7-36H,1-6H3
InChIKey	UYMIHSSEDIEZPY-UHFFFAOYSA-N
XLogP	14.82
TPSA	6.48 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	10
Heavy Atoms	54
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.97
LogP ≤ 5	14.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-[2-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline?

The IUPAC name of 3-methyl-4-[2-[2-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline (CID 59920412) is 3-methyl-4-[2-[2-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline.

What is the SMILES notation for 3-methyl-4-[2-[2-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline?

The canonical SMILES for 3-methyl-4-[2-[2-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline is Cc1cccc(N(c2cccc(C)c2)c2ccc(C=Cc3ccccc3C=Cc3ccc(N(c4cccc(C)c4)c4cccc(C)c4)cc3C)c(C)c2)c1.

What is the InChIKey of 3-methyl-4-[2-[2-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline?

The InChIKey is UYMIHSSEDIEZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48N2/c1-37-13-9-19-47(31-37)53(48-20-10-14-38(2)32-48)51-29-27-43(41(5)35-51)23-25-45-17-7-8-18-46(45)26-24-44-28-30-52(36-42(44)6)54(49-21-11-15-39(3)33-49)50-22-12-16-40(4)34-50/h7-36H,1-6H3.

What are the key properties of 3-methyl-4-[2-[2-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline?

3-methyl-4-[2-[2-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline has a molecular weight of 700.97 g/mol, XLogP of 14.82, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-4-[2-[2-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline is sourced from PubChem (CID 59920412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).