4-[(E)-2-[3,5-bis[(E)-2-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline

C75H69N3 — CID 58596504

IUPAC4-[(E)-2-[3,5-bis[(E)-2-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
SMILESCC(C)c1ccc(N(c2ccccc2)c2ccc(/C=C/c3cc(/C=C/c4ccc(N(c5ccccc5)c5ccc(C(C)C)cc5)cc4)cc(/C=C/c4ccc(N(c5ccccc5)c5ccc(C(C)C)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C75H69N3/c1-55(2)64-34-46-73(47-35-64)76(67-16-10-7-11-17-67)70-40-28-58(29-41-70)22-25-61-52-62(26-23-59-30-42-71(43-31-59)77(68-18-12-8-13-19-68)74-48-36-65(37-49-74)56(3)4)54-63(53-61)27-24-60-32-44-72(45-33-60)78(69-20-14-9-15-21-69)75-50-38-66(39-51-75)57(5)6/h7-57H,1-6H3/b25-22+,26-23+,27-24+
InChIKeyKZDKFFODFSBYRI-NQXXUPRISA-N
MW1012.40 g/mol
LogP21.98
Rot. Bonds18

About 4-[(E)-2-[3,5-bis[(E)-2-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline

4-[(E)-2-[3,5-bis[(E)-2-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline (PubChem CID 58596504) has the molecular formula C75H69N3 and a molecular weight of 1012.40 g/mol. Its IUPAC name is 4-[(E)-2-[3,5-bis[(E)-2-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline.

Molecular Properties

Compound Name4-[(E)-2-[3,5-bis[(E)-2-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
PubChem CID58596504
Molecular FormulaC75H69N3
Molecular Weight1012.40 g/mol
Exact Mass1011.55
IUPAC Name4-[(E)-2-[3,5-bis[(E)-2-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
SMILESCC(C)c1ccc(N(c2ccccc2)c2ccc(/C=C/c3cc(/C=C/c4ccc(N(c5ccccc5)c5ccc(C(C)C)cc5)cc4)cc(/C=C/c4ccc(N(c5ccccc5)c5ccc(C(C)C)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C75H69N3/c1-55(2)64-34-46-73(47-35-64)76(67-16-10-7-11-17-67)70-40-28-58(29-41-70)22-25-61-52-62(26-23-59-30-42-71(43-31-59)77(68-18-12-8-13-19-68)74-48-36-65(37-49-74)56(3)4)54-63(53-61)27-24-60-32-44-72(45-33-60)78(69-20-14-9-15-21-69)75-50-38-66(39-51-75)57(5)6/h7-57H,1-6H3/b25-22+,26-23+,27-24+
InChIKeyKZDKFFODFSBYRI-NQXXUPRISA-N
XLogP21.98
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001012.40
LogP ≤ 521.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 22900193
N-(4-butan-2-ylphenyl)-4-(2-phenylethenyl)-N-(4-propan-2-ylphenyl)aniline
CID 89097686
1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 14366512
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diphenylaniline
CID 20650306
1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 59745960
N-(3,5-dimethylphenyl)-N-[4-[4-[2-(4-propan-2-ylphenyl)ethenyl]phenyl]phenyl]naphthalen-2-amine
CID 90936439
4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-N-[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline;4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline
CID 159424729

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3,5-bis[(E)-2-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline?
The IUPAC name of 4-[(E)-2-[3,5-bis[(E)-2-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline (CID 58596504) is 4-[(E)-2-[3,5-bis[(E)-2-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline.
What is the SMILES notation for 4-[(E)-2-[3,5-bis[(E)-2-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline?
The canonical SMILES for 4-[(E)-2-[3,5-bis[(E)-2-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline is CC(C)c1ccc(N(c2ccccc2)c2ccc(/C=C/c3cc(/C=C/c4ccc(N(c5ccccc5)c5ccc(C(C)C)cc5)cc4)cc(/C=C/c4ccc(N(c5ccccc5)c5ccc(C(C)C)cc5)cc4)c3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[3,5-bis[(E)-2-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline?
The InChIKey is KZDKFFODFSBYRI-NQXXUPRISA-N. The full InChI is InChI=1S/C75H69N3/c1-55(2)64-34-46-73(47-35-64)76(67-16-10-7-11-17-67)70-40-28-58(29-41-70)22-25-61-52-62(26-23-59-30-42-71(43-31-59)77(68-18-12-8-13-19-68)74-48-36-65(37-49-74)56(3)4)54-63(53-61)27-24-60-32-44-72(45-33-60)78(69-20-14-9-15-21-69)75-50-38-66(39-51-75)57(5)6/h7-57H,1-6H3/b25-22+,26-23+,27-24+.
What are the key properties of 4-[(E)-2-[3,5-bis[(E)-2-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline?
4-[(E)-2-[3,5-bis[(E)-2-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline has a molecular weight of 1012.40 g/mol, XLogP of 21.98, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3,5-bis[(E)-2-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline is sourced from PubChem (CID 58596504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).