4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine

C46H38N2O2 — CID 139847758

IUPAC4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine
SMILESCOc1ccccc1N(c1ccccc1)c1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccccc2OC)cc1
InChIInChI=1S/C46H38N2O2/c1-49-45-24-14-12-22-43(45)47(38-20-10-5-11-21-38)40-30-32-41(33-31-40)48(44-23-13-15-25-46(44)50-2)39-28-26-35(27-29-39)34-42(36-16-6-3-7-17-36)37-18-8-4-9-19-37/h3-34H,1-2H3
InChIKeyLNSWFCFJWRIFJD-UHFFFAOYSA-N
MW650.82 g/mol
LogP12.23
Rot. Bonds11

About 4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine

4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine (PubChem CID 139847758) has the molecular formula C46H38N2O2 and a molecular weight of 650.82 g/mol. Its IUPAC name is 4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine
PubChem CID139847758
Molecular FormulaC46H38N2O2
Molecular Weight650.82 g/mol
Exact Mass650.29
IUPAC Name4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine
SMILESCOc1ccccc1N(c1ccccc1)c1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccccc2OC)cc1
InChIInChI=1S/C46H38N2O2/c1-49-45-24-14-12-22-43(45)47(38-20-10-5-11-21-38)40-30-32-41(33-31-40)48(44-23-13-15-25-46(44)50-2)39-28-26-35(27-29-39)34-42(36-16-6-3-7-17-36)37-18-8-4-9-19-37/h3-34H,1-2H3
InChIKeyLNSWFCFJWRIFJD-UHFFFAOYSA-N
XLogP12.23
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.82
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418
N-[4-(2,2-diphenylethenyl)phenyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenylaniline
CID 59935129
4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 163442886
2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 154951531
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline
CID 170098385
2-methoxy-N,N-bis(4-methoxyphenyl)aniline
CID 54235747
4-(2,2-diphenylethenyl)-N,N-diphenylaniline;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylaniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-(2-phenylethenyl)aniline;ethane
CID 158855381
4-[2,2-bis(4-methylphenyl)ethenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylnaphthalen-1-amine;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 157429569
1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone
CID 91417911
N-[4-(2,2-diphenylethenyl)phenyl]-N,4-dimethylaniline
CID 14549602

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine (CID 139847758) is 4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine is COc1ccccc1N(c1ccccc1)c1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccccc2OC)cc1.
What is the InChIKey of 4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine?
The InChIKey is LNSWFCFJWRIFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N2O2/c1-49-45-24-14-12-22-43(45)47(38-20-10-5-11-21-38)40-30-32-41(33-31-40)48(44-23-13-15-25-46(44)50-2)39-28-26-35(27-29-39)34-42(36-16-6-3-7-17-36)37-18-8-4-9-19-37/h3-34H,1-2H3.
What are the key properties of 4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine?
4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine has a molecular weight of 650.82 g/mol, XLogP of 12.23, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 139847758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).