4-[(E)-2-[4-[(E)-2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]ethenyl]-2,5-bis(2-ethylhexoxy)phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline

C62H64Br4N2O2 — CID 59629901

IUPAC4-[(E)-2-[4-[(E)-2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]ethenyl]-2,5-bis(2-ethylhexoxy)phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline
SMILESCCCCC(CC)COc1cc(/C=C/c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)c(OCC(CC)CCCC)cc1/C=C/c1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C62H64Br4N2O2/c1-5-9-11-45(7-3)43-69-61-41-50(20-14-48-17-31-56(32-18-48)68(59-37-25-53(65)26-38-59)60-39-27-54(66)28-40-60)62(70-44-46(8-4)12-10-6-2)42-49(61)19-13-47-15-29-55(30-16-47)67(57-33-21-51(63)22-34-57)58-35-23-52(64)24-36-58/h13-42,45-46H,5-12,43-44H2,1-4H3/b19-13+,20-14+
InChIKeyQRAKZJBNKCIXEG-IWGRKNQJSA-N
MW1188.82 g/mol
LogP21.21
Rot. Bonds24

About 4-[(E)-2-[4-[(E)-2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]ethenyl]-2,5-bis(2-ethylhexoxy)phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline

4-[(E)-2-[4-[(E)-2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]ethenyl]-2,5-bis(2-ethylhexoxy)phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline (PubChem CID 59629901) has the molecular formula C62H64Br4N2O2 and a molecular weight of 1188.82 g/mol. Its IUPAC name is 4-[(E)-2-[4-[(E)-2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]ethenyl]-2,5-bis(2-ethylhexoxy)phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline.

Molecular Properties

Compound Name4-[(E)-2-[4-[(E)-2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]ethenyl]-2,5-bis(2-ethylhexoxy)phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline
PubChem CID59629901
Molecular FormulaC62H64Br4N2O2
Molecular Weight1188.82 g/mol
Exact Mass1184.17
IUPAC Name4-[(E)-2-[4-[(E)-2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]ethenyl]-2,5-bis(2-ethylhexoxy)phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline
SMILESCCCCC(CC)COc1cc(/C=C/c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)c(OCC(CC)CCCC)cc1/C=C/c1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C62H64Br4N2O2/c1-5-9-11-45(7-3)43-69-61-41-50(20-14-48-17-31-56(32-18-48)68(59-37-25-53(65)26-38-59)60-39-27-54(66)28-40-60)62(70-44-46(8-4)12-10-6-2)42-49(61)19-13-47-15-29-55(30-16-47)67(57-33-21-51(63)22-34-57)58-35-23-52(64)24-36-58/h13-42,45-46H,5-12,43-44H2,1-4H3/b19-13+,20-14+
InChIKeyQRAKZJBNKCIXEG-IWGRKNQJSA-N
XLogP21.21
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001188.82
LogP ≤ 521.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-[4-[(E)-2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]ethenyl]-2,5-bis(2-ethylhexoxy)phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline with MolForge

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Related Compounds

1-[(E)-2-(4-bromophenyl)ethenyl]-5-[(2S)-2-ethylhexoxy]-2-[(2R)-2-ethylhexoxy]-4-[(E)-2-phenylethenyl]benzene
CID 135816764
4-[2-[2-(2-ethylhexoxy)-5-methoxyphenyl]ethenyl]-N,N-diphenylaniline
CID 174488589
N-(4-bromophenyl)-4-[(2R)-2-ethylhexoxy]-N-[4-[(2R)-2-ethylhexoxy]phenyl]aniline
CID 98047352
1,4-bis(2-ethylhexoxy)-2,5-bis[(E)-2-(4-phenylmethoxyphenyl)ethenyl]benzene
CID 101390382
4-[(E)-2-[2,5-bis(2-ethylhexoxy)-4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline
CID 143348020
N-[4-[2-[4-[2-[5-(3,7-dimethyloctoxy)-2-methoxy-4-(2-phenylethenyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]-N-[4-(2-ethylhexoxy)phenyl]-4-[2-[4-(2-phenylethenyl)phenyl]ethynyl]aniline
CID 58749960
1,4-bis(2-ethylhexoxy)-2-[(E)-2-(4-isocyanophenyl)ethenyl]-5-nitrobenzene
CID 123871999
4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene
CID 169014033
2,5-dibromo-3-[(E)-2-[4-[(E)-2-[4-(2-ethylhexoxy)phenyl]ethenyl]phenyl]ethenyl]thiophene
CID 101392914
5-[(E)-2-[2-(2-ethylhexoxy)-5-methoxy-4-[(E)-2-(5-pentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),2(9),3(8),4,6,10,12,14(18),15-nonaenyl)ethenyl]phenyl]ethenyl]pentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),2(9),3(8),4,6,10,12,14(18),15-nonaene
CID 100987707
N-[4-[(E)-2-[2,5-dihexoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 101129124
1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
CID 71351015

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[(E)-2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]ethenyl]-2,5-bis(2-ethylhexoxy)phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline?
The IUPAC name of 4-[(E)-2-[4-[(E)-2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]ethenyl]-2,5-bis(2-ethylhexoxy)phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline (CID 59629901) is 4-[(E)-2-[4-[(E)-2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]ethenyl]-2,5-bis(2-ethylhexoxy)phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline.
What is the SMILES notation for 4-[(E)-2-[4-[(E)-2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]ethenyl]-2,5-bis(2-ethylhexoxy)phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline?
The canonical SMILES for 4-[(E)-2-[4-[(E)-2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]ethenyl]-2,5-bis(2-ethylhexoxy)phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline is CCCCC(CC)COc1cc(/C=C/c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)c(OCC(CC)CCCC)cc1/C=C/c1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[(E)-2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]ethenyl]-2,5-bis(2-ethylhexoxy)phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline?
The InChIKey is QRAKZJBNKCIXEG-IWGRKNQJSA-N. The full InChI is InChI=1S/C62H64Br4N2O2/c1-5-9-11-45(7-3)43-69-61-41-50(20-14-48-17-31-56(32-18-48)68(59-37-25-53(65)26-38-59)60-39-27-54(66)28-40-60)62(70-44-46(8-4)12-10-6-2)42-49(61)19-13-47-15-29-55(30-16-47)67(57-33-21-51(63)22-34-57)58-35-23-52(64)24-36-58/h13-42,45-46H,5-12,43-44H2,1-4H3/b19-13+,20-14+.
What are the key properties of 4-[(E)-2-[4-[(E)-2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]ethenyl]-2,5-bis(2-ethylhexoxy)phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline?
4-[(E)-2-[4-[(E)-2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]ethenyl]-2,5-bis(2-ethylhexoxy)phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline has a molecular weight of 1188.82 g/mol, XLogP of 21.21, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[(E)-2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]ethenyl]-2,5-bis(2-ethylhexoxy)phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline is sourced from PubChem (CID 59629901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).