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

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

3-methyl-4-[(E)-2-[2-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline (PubChem CID 22899848) has the molecular formula C52H48N2 and a molecular weight of 700.97 g/mol. Its IUPAC name is 3-methyl-4-[(E)-2-[2-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline.

Molecular Properties

Compound Name	3-methyl-4-[(E)-2-[2-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline
PubChem CID	22899848
Molecular Formula	C52H48N2
Molecular Weight	700.97 g/mol
Exact Mass	700.38
IUPAC Name	3-methyl-4-[(E)-2-[2-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline
SMILES	Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccccc3/C=C/c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3C)c(C)c2)cc1
InChI	InChI=1S/C52H48N2/c1-37-11-25-47(26-12-37)53(48-27-13-38(2)14-28-48)51-33-23-43(41(5)35-51)19-21-45-9-7-8-10-46(45)22-20-44-24-34-52(36-42(44)6)54(49-29-15-39(3)16-30-49)50-31-17-40(4)18-32-50/h7-36H,1-6H3/b21-19+,22-20+
InChIKey	FXZXBXXTCPHENM-FLFKKZLDSA-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-[(E)-2-[2-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline?

The IUPAC name of 3-methyl-4-[(E)-2-[2-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline (CID 22899848) is 3-methyl-4-[(E)-2-[2-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline.

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

The canonical SMILES for 3-methyl-4-[(E)-2-[2-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccccc3/C=C/c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3C)c(C)c2)cc1.

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

The InChIKey is FXZXBXXTCPHENM-FLFKKZLDSA-N. The full InChI is InChI=1S/C52H48N2/c1-37-11-25-47(26-12-37)53(48-27-13-38(2)14-28-48)51-33-23-43(41(5)35-51)19-21-45-9-7-8-10-46(45)22-20-44-24-34-52(36-42(44)6)54(49-29-15-39(3)16-30-49)50-31-17-40(4)18-32-50/h7-36H,1-6H3/b21-19+,22-20+.

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

3-methyl-4-[(E)-2-[2-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-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-[(E)-2-[2-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline is sourced from PubChem (CID 22899848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).