N-[4-[(Z)-2-cyclohexa-2,4-dien-1-yl-2-phenylethenyl]phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline

C66H54N2 — CID 142479212

IUPACN-[4-[(Z)-2-cyclohexa-2,4-dien-1-yl-2-phenylethenyl]phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline
SMILESCc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(/C=C(\c5ccccc5)C5C=CC=CC5)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H54N2/c1-49-23-35-59(36-24-49)67(61-39-27-51(28-40-61)47-65(55-15-7-3-8-16-55)56-17-9-4-10-18-56)63-43-31-53(32-44-63)54-33-45-64(46-34-54)68(60-37-25-50(2)26-38-60)62-41-29-52(30-42-62)48-66(57-19-11-5-12-20-57)58-21-13-6-14-22-58/h3-21,23-48,58H,22H2,1-2H3/b66-48+
InChIKeyCZDFUCIWMMRGIK-OPHSGVNNSA-N
MW875.17 g/mol
LogP18.17
Rot. Bonds13

About N-[4-[(Z)-2-cyclohexa-2,4-dien-1-yl-2-phenylethenyl]phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline

N-[4-[(Z)-2-cyclohexa-2,4-dien-1-yl-2-phenylethenyl]phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline (PubChem CID 142479212) has the molecular formula C66H54N2 and a molecular weight of 875.17 g/mol. Its IUPAC name is N-[4-[(Z)-2-cyclohexa-2,4-dien-1-yl-2-phenylethenyl]phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline.

Molecular Properties

Compound NameN-[4-[(Z)-2-cyclohexa-2,4-dien-1-yl-2-phenylethenyl]phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline
PubChem CID142479212
Molecular FormulaC66H54N2
Molecular Weight875.17 g/mol
Exact Mass874.43
IUPAC NameN-[4-[(Z)-2-cyclohexa-2,4-dien-1-yl-2-phenylethenyl]phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline
SMILESCc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(/C=C(\c5ccccc5)C5C=CC=CC5)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H54N2/c1-49-23-35-59(36-24-49)67(61-39-27-51(28-40-61)47-65(55-15-7-3-8-16-55)56-17-9-4-10-18-56)63-43-31-53(32-44-63)54-33-45-64(46-34-54)68(60-37-25-50(2)26-38-60)62-41-29-52(30-42-62)48-66(57-19-11-5-12-20-57)58-21-13-6-14-22-58/h3-21,23-48,58H,22H2,1-2H3/b66-48+
InChIKeyCZDFUCIWMMRGIK-OPHSGVNNSA-N
XLogP18.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.17
LogP ≤ 518.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[(Z)-2-cyclohexa-2,4-dien-1-yl-2-phenylethenyl]phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline with MolForge

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Related Compounds

4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[2-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159829697
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
N-[4-[4-[12-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]anilino)phenyl]phenyl]-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysen-6-yl]phenyl]phenyl]-4-methyl-N-phenylaniline
CID 89363769
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856
4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde
CID 59080163
N-[4-[(E)-1-cyclohexa-2,4-dien-1-yl-2-(4-methoxyphenyl)ethenyl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline
CID 70841571
3-[4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]prop-2-enoic acid
CID 123770908
N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylbenzene;toluene
CID 144914532
N-[4-(2,2-diphenylethenyl)phenyl]-N,4-dimethylaniline
CID 14549602
N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine
CID 142720916
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-2-cyclohexa-2,4-dien-1-yl-2-phenylethenyl]phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline?
The IUPAC name of N-[4-[(Z)-2-cyclohexa-2,4-dien-1-yl-2-phenylethenyl]phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline (CID 142479212) is N-[4-[(Z)-2-cyclohexa-2,4-dien-1-yl-2-phenylethenyl]phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline.
What is the SMILES notation for N-[4-[(Z)-2-cyclohexa-2,4-dien-1-yl-2-phenylethenyl]phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline?
The canonical SMILES for N-[4-[(Z)-2-cyclohexa-2,4-dien-1-yl-2-phenylethenyl]phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline is Cc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(/C=C(\c5ccccc5)C5C=CC=CC5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(Z)-2-cyclohexa-2,4-dien-1-yl-2-phenylethenyl]phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline?
The InChIKey is CZDFUCIWMMRGIK-OPHSGVNNSA-N. The full InChI is InChI=1S/C66H54N2/c1-49-23-35-59(36-24-49)67(61-39-27-51(28-40-61)47-65(55-15-7-3-8-16-55)56-17-9-4-10-18-56)63-43-31-53(32-44-63)54-33-45-64(46-34-54)68(60-37-25-50(2)26-38-60)62-41-29-52(30-42-62)48-66(57-19-11-5-12-20-57)58-21-13-6-14-22-58/h3-21,23-48,58H,22H2,1-2H3/b66-48+.
What are the key properties of N-[4-[(Z)-2-cyclohexa-2,4-dien-1-yl-2-phenylethenyl]phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline?
N-[4-[(Z)-2-cyclohexa-2,4-dien-1-yl-2-phenylethenyl]phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline has a molecular weight of 875.17 g/mol, XLogP of 18.17, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-2-cyclohexa-2,4-dien-1-yl-2-phenylethenyl]phenyl]-N-[4-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline is sourced from PubChem (CID 142479212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).