2-methyl-N-[4-[4-(2-methyl-N-[2-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-[2-[(E)-2-phenylethenyl]phenyl]aniline

C54H44N2 — CID 58876508

IUPAC2-methyl-N-[4-[4-(2-methyl-N-[2-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-[2-[(E)-2-phenylethenyl]phenyl]aniline
SMILESCc1ccccc1N(c1ccc(-c2ccc(N(c3ccccc3C)c3ccccc3/C=C/c3ccccc3)cc2)cc1)c1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C54H44N2/c1-41-17-9-13-25-51(41)55(53-27-15-11-23-47(53)31-29-43-19-5-3-6-20-43)49-37-33-45(34-38-49)46-35-39-50(40-36-46)56(52-26-14-10-18-42(52)2)54-28-16-12-24-48(54)32-30-44-21-7-4-8-22-44/h3-40H,1-2H3/b31-29+,32-30+
InChIKeyBJKHFKXGRMEJFJ-JWTBXLROSA-N
MW720.96 g/mol
LogP15.25
Rot. Bonds11

About 2-methyl-N-[4-[4-(2-methyl-N-[2-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-[2-[(E)-2-phenylethenyl]phenyl]aniline

2-methyl-N-[4-[4-(2-methyl-N-[2-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-[2-[(E)-2-phenylethenyl]phenyl]aniline (PubChem CID 58876508) has the molecular formula C54H44N2 and a molecular weight of 720.96 g/mol. Its IUPAC name is 2-methyl-N-[4-[4-(2-methyl-N-[2-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-[2-[(E)-2-phenylethenyl]phenyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[4-[4-(2-methyl-N-[2-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-[2-[(E)-2-phenylethenyl]phenyl]aniline
PubChem CID58876508
Molecular FormulaC54H44N2
Molecular Weight720.96 g/mol
Exact Mass720.35
IUPAC Name2-methyl-N-[4-[4-(2-methyl-N-[2-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-[2-[(E)-2-phenylethenyl]phenyl]aniline
SMILESCc1ccccc1N(c1ccc(-c2ccc(N(c3ccccc3C)c3ccccc3/C=C/c3ccccc3)cc2)cc1)c1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C54H44N2/c1-41-17-9-13-25-51(41)55(53-27-15-11-23-47(53)31-29-43-19-5-3-6-20-43)49-37-33-45(34-38-49)46-35-39-50(40-36-46)56(52-26-14-10-18-42(52)2)54-28-16-12-24-48(54)32-30-44-21-7-4-8-22-44/h3-40H,1-2H3/b31-29+,32-30+
InChIKeyBJKHFKXGRMEJFJ-JWTBXLROSA-N
XLogP15.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.96
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59705601
2-methyl-N-[4-[2-[2-[2-[4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 59366113
2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 89074819
2-[(E)-2-phenylethenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 59705560
N-[4-[4-[(E)-2-[4-[4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine
CID 89068089
N-(2-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 89074731
N-(2-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine
CID 89067942
N,N-diphenyl-2-[2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 161451306
N-(2-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]phenanthren-9-amine
CID 91467214
N-[4-[4-[N-(2,4-dimethylphenyl)-4-[(E)-2-(2-methylphenyl)ethenyl]anilino]phenyl]phenyl]-2,4-dimethyl-N-[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]aniline;N-[4-[4-[N-(2,4-dimethylphenyl)-4-[(E)-2-(2-methylphenyl)ethenyl]anilino]phenyl]phenyl]-2,4-dimethyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;bis(N-[4-[4-[N-(2,4-dimethylphenyl)-4-[(E)-2-(3-methylphenyl)ethenyl]anilino]phenyl]phenyl]-2,4-dimethyl-N-[4-[(E)-2-(3-methylphenyl)ethenyl]phenyl]aniline)
CID 162088026
N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline
CID 59920436
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 59048165

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[4-(2-methyl-N-[2-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-[2-[(E)-2-phenylethenyl]phenyl]aniline?
The IUPAC name of 2-methyl-N-[4-[4-(2-methyl-N-[2-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-[2-[(E)-2-phenylethenyl]phenyl]aniline (CID 58876508) is 2-methyl-N-[4-[4-(2-methyl-N-[2-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-[2-[(E)-2-phenylethenyl]phenyl]aniline.
What is the SMILES notation for 2-methyl-N-[4-[4-(2-methyl-N-[2-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-[2-[(E)-2-phenylethenyl]phenyl]aniline?
The canonical SMILES for 2-methyl-N-[4-[4-(2-methyl-N-[2-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-[2-[(E)-2-phenylethenyl]phenyl]aniline is Cc1ccccc1N(c1ccc(-c2ccc(N(c3ccccc3C)c3ccccc3/C=C/c3ccccc3)cc2)cc1)c1ccccc1/C=C/c1ccccc1.
What is the InChIKey of 2-methyl-N-[4-[4-(2-methyl-N-[2-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-[2-[(E)-2-phenylethenyl]phenyl]aniline?
The InChIKey is BJKHFKXGRMEJFJ-JWTBXLROSA-N. The full InChI is InChI=1S/C54H44N2/c1-41-17-9-13-25-51(41)55(53-27-15-11-23-47(53)31-29-43-19-5-3-6-20-43)49-37-33-45(34-38-49)46-35-39-50(40-36-46)56(52-26-14-10-18-42(52)2)54-28-16-12-24-48(54)32-30-44-21-7-4-8-22-44/h3-40H,1-2H3/b31-29+,32-30+.
What are the key properties of 2-methyl-N-[4-[4-(2-methyl-N-[2-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-[2-[(E)-2-phenylethenyl]phenyl]aniline?
2-methyl-N-[4-[4-(2-methyl-N-[2-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-[2-[(E)-2-phenylethenyl]phenyl]aniline has a molecular weight of 720.96 g/mol, XLogP of 15.25, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[4-(2-methyl-N-[2-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-[2-[(E)-2-phenylethenyl]phenyl]aniline is sourced from PubChem (CID 58876508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).