N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline

C56H48N2 — CID 59408570

IUPACN-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline
SMILESCc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(-c3ccc(N(C=C(c4ccccc4)c4ccccc4)c4ccc(C)cc4C)cc3)cc2)c(C)c1
InChIInChI=1S/C56H48N2/c1-41-25-35-55(43(3)37-41)57(39-53(47-17-9-5-10-18-47)48-19-11-6-12-20-48)51-31-27-45(28-32-51)46-29-33-52(34-30-46)58(56-36-26-42(2)38-44(56)4)40-54(49-21-13-7-14-22-49)50-23-15-8-16-24-50/h5-40H,1-4H3
InChIKeyFMXVGMOGTVSYLP-UHFFFAOYSA-N
MW749.01 g/mol
LogP15.04
Rot. Bonds11

About N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline

N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline (PubChem CID 59408570) has the molecular formula C56H48N2 and a molecular weight of 749.01 g/mol. Its IUPAC name is N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline
PubChem CID59408570
Molecular FormulaC56H48N2
Molecular Weight749.01 g/mol
Exact Mass748.38
IUPAC NameN-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline
SMILESCc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(-c3ccc(N(C=C(c4ccccc4)c4ccccc4)c4ccc(C)cc4C)cc3)cc2)c(C)c1
InChIInChI=1S/C56H48N2/c1-41-25-35-55(43(3)37-41)57(39-53(47-17-9-5-10-18-47)48-19-11-6-12-20-48)51-31-27-45(28-32-51)46-29-33-52(34-30-46)58(56-36-26-42(2)38-44(56)4)40-54(49-21-13-7-14-22-49)50-23-15-8-16-24-50/h5-40H,1-4H3
InChIKeyFMXVGMOGTVSYLP-UHFFFAOYSA-N
XLogP15.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.01
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(2,4-dimethyl-N-[(E)-2-[4-[[4-(N-[4-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenyl]methyl]phenyl]-2-phenylethenyl]anilino)phenyl]phenyl]-N-(2,2-diphenylethenyl)-2,4-dimethylaniline
CID 130325250
N-[4-[(E)-2-[4-[(E)-2-[4-(N-(2,4-dimethylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-[N-(2,4-dimethylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]phenyl]phenyl]-2,4-dimethyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline;2-ethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-6-methyl-N-phenylaniline;2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-phenylethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-phenylethenyl]phenyl]aniline;4-methyl-N-[4-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-phenylaniline
CID 160974207
N-(2,2-diphenylethenyl)-4-ethenyl-N-(4-methylphenyl)naphthalen-1-amine
CID 118104132
N-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline
CID 59408569
N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline
CID 158670691
N-[4-[(E)-2-[2-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline
CID 59833991
N-(2,2-diphenylethenyl)-N-(4-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 142733388
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
N-(2,2-diphenylethenyl)-N-(3-methylphenyl)-4-(2-phenylethenyl)naphthalen-1-amine
CID 121323870
N-(2,2-diphenylethyl)-N-[4-[4-[4-[N-(2,2-diphenylethyl)-2,4-dimethylanilino]phenyl]phenyl]phenyl]-2,4-dimethylaniline
CID 130387749
N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline
CID 86720787
N-[2,2-bis(4-fluorophenyl)ethenyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-4-methylaniline
CID 23517958

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline?
The IUPAC name of N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline (CID 59408570) is N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline.
What is the SMILES notation for N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline?
The canonical SMILES for N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline is Cc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(-c3ccc(N(C=C(c4ccccc4)c4ccccc4)c4ccc(C)cc4C)cc3)cc2)c(C)c1.
What is the InChIKey of N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline?
The InChIKey is FMXVGMOGTVSYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H48N2/c1-41-25-35-55(43(3)37-41)57(39-53(47-17-9-5-10-18-47)48-19-11-6-12-20-48)51-31-27-45(28-32-51)46-29-33-52(34-30-46)58(56-36-26-42(2)38-44(56)4)40-54(49-21-13-7-14-22-49)50-23-15-8-16-24-50/h5-40H,1-4H3.
What are the key properties of N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline?
N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline has a molecular weight of 749.01 g/mol, XLogP of 15.04, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline is sourced from PubChem (CID 59408570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).