3-[2-[4-[4-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]-N-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]phenyl]anilino]phenyl]phenyl]ethenyl]-N,N-diethylaniline

C72H72N4 — CID 59989521

IUPAC3-[2-[4-[4-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]-N-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]phenyl]anilino]phenyl]phenyl]ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1cccc(C=Cc2ccc(-c3ccc(N(c4ccc(-c5ccc(C=Cc6cccc(N(CC)CC)c6)cc5)cc4)c4ccc(-c5ccc(C=Cc6cccc(N(CC)CC)c6)cc5)cc4)cc3)cc2)c1
InChIInChI=1S/C72H72N4/c1-7-73(8-2)70-19-13-16-58(52-70)25-22-55-28-34-61(35-29-55)64-40-46-67(47-41-64)76(68-48-42-65(43-49-68)62-36-30-56(31-37-62)23-26-59-17-14-20-71(53-59)74(9-3)10-4)69-50-44-66(45-51-69)63-38-32-57(33-39-63)24-27-60-18-15-21-72(54-60)75(11-5)12-6/h13-54H,7-12H2,1-6H3
InChIKeyINNGSQYMUXWKTJ-UHFFFAOYSA-N
MW993.40 g/mol
LogP19.21
Rot. Bonds21

About 3-[2-[4-[4-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]-N-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]phenyl]anilino]phenyl]phenyl]ethenyl]-N,N-diethylaniline

3-[2-[4-[4-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]-N-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]phenyl]anilino]phenyl]phenyl]ethenyl]-N,N-diethylaniline (PubChem CID 59989521) has the molecular formula C72H72N4 and a molecular weight of 993.40 g/mol. Its IUPAC name is 3-[2-[4-[4-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]-N-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]phenyl]anilino]phenyl]phenyl]ethenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name3-[2-[4-[4-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]-N-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]phenyl]anilino]phenyl]phenyl]ethenyl]-N,N-diethylaniline
PubChem CID59989521
Molecular FormulaC72H72N4
Molecular Weight993.40 g/mol
Exact Mass992.58
IUPAC Name3-[2-[4-[4-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]-N-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]phenyl]anilino]phenyl]phenyl]ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1cccc(C=Cc2ccc(-c3ccc(N(c4ccc(-c5ccc(C=Cc6cccc(N(CC)CC)c6)cc5)cc4)c4ccc(-c5ccc(C=Cc6cccc(N(CC)CC)c6)cc5)cc4)cc3)cc2)c1
InChIInChI=1S/C72H72N4/c1-7-73(8-2)70-19-13-16-58(52-70)25-22-55-28-34-61(35-29-55)64-40-46-67(47-41-64)76(68-48-42-65(43-49-68)62-36-30-56(31-37-62)23-26-59-17-14-20-71(53-59)74(9-3)10-4)69-50-44-66(45-51-69)63-38-32-57(33-39-63)24-27-60-18-15-21-72(54-60)75(11-5)12-6/h13-54H,7-12H2,1-6H3
InChIKeyINNGSQYMUXWKTJ-UHFFFAOYSA-N
XLogP19.21
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.40
LogP ≤ 519.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-[4-[4-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]-N-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]phenyl]anilino]phenyl]phenyl]ethenyl]-N,N-diethylaniline with MolForge

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Related Compounds

4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 102038782
3-[2-(4-methylphenyl)ethenyl]-N-[4-[4-(N-[4-[2-(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59987783
3-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-N-[3-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 118136756
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983495
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
1-N,1-N-diethyl-3-N-(4-methylphenyl)-3-N-[4-(4-methylphenyl)phenyl]benzene-1,3-diamine
CID 20761234
N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 14366512
1-N,1-N,3-N,3-N-tetraethyl-4-[2-[4-(4-methyl-N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]ethenyl]benzene-1,3-diamine
CID 59989534
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083
N-phenyl-N-(4-phenylphenyl)-4-[(E)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]aniline
CID 58715854
4-[2-[3,5-bis[2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 57028933
3-methyl-N-(3-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 90810762

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[4-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]-N-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]phenyl]anilino]phenyl]phenyl]ethenyl]-N,N-diethylaniline?
The IUPAC name of 3-[2-[4-[4-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]-N-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]phenyl]anilino]phenyl]phenyl]ethenyl]-N,N-diethylaniline (CID 59989521) is 3-[2-[4-[4-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]-N-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]phenyl]anilino]phenyl]phenyl]ethenyl]-N,N-diethylaniline.
What is the SMILES notation for 3-[2-[4-[4-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]-N-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]phenyl]anilino]phenyl]phenyl]ethenyl]-N,N-diethylaniline?
The canonical SMILES for 3-[2-[4-[4-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]-N-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]phenyl]anilino]phenyl]phenyl]ethenyl]-N,N-diethylaniline is CCN(CC)c1cccc(C=Cc2ccc(-c3ccc(N(c4ccc(-c5ccc(C=Cc6cccc(N(CC)CC)c6)cc5)cc4)c4ccc(-c5ccc(C=Cc6cccc(N(CC)CC)c6)cc5)cc4)cc3)cc2)c1.
What is the InChIKey of 3-[2-[4-[4-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]-N-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]phenyl]anilino]phenyl]phenyl]ethenyl]-N,N-diethylaniline?
The InChIKey is INNGSQYMUXWKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H72N4/c1-7-73(8-2)70-19-13-16-58(52-70)25-22-55-28-34-61(35-29-55)64-40-46-67(47-41-64)76(68-48-42-65(43-49-68)62-36-30-56(31-37-62)23-26-59-17-14-20-71(53-59)74(9-3)10-4)69-50-44-66(45-51-69)63-38-32-57(33-39-63)24-27-60-18-15-21-72(54-60)75(11-5)12-6/h13-54H,7-12H2,1-6H3.
What are the key properties of 3-[2-[4-[4-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]-N-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]phenyl]anilino]phenyl]phenyl]ethenyl]-N,N-diethylaniline?
3-[2-[4-[4-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]-N-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]phenyl]anilino]phenyl]phenyl]ethenyl]-N,N-diethylaniline has a molecular weight of 993.40 g/mol, XLogP of 19.21, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[4-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]-N-[4-[4-[2-[3-(diethylamino)phenyl]ethenyl]phenyl]phenyl]anilino]phenyl]phenyl]ethenyl]-N,N-diethylaniline is sourced from PubChem (CID 59989521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).