N-(4-butan-2-ylphenyl)-4-(2-phenylethenyl)-N-(4-propan-2-ylphenyl)aniline

C33H35N — CID 89097686

IUPACN-(4-butan-2-ylphenyl)-4-(2-phenylethenyl)-N-(4-propan-2-ylphenyl)aniline
SMILESCCC(C)c1ccc(N(c2ccc(C=Cc3ccccc3)cc2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C33H35N/c1-5-26(4)30-17-23-33(24-18-30)34(32-21-15-29(16-22-32)25(2)3)31-19-13-28(14-20-31)12-11-27-9-7-6-8-10-27/h6-26H,5H2,1-4H3
InChIKeyYLVIYXISHKRRAM-UHFFFAOYSA-N
MW445.65 g/mol
LogP9.96
Rot. Bonds8

About N-(4-butan-2-ylphenyl)-4-(2-phenylethenyl)-N-(4-propan-2-ylphenyl)aniline

N-(4-butan-2-ylphenyl)-4-(2-phenylethenyl)-N-(4-propan-2-ylphenyl)aniline (PubChem CID 89097686) has the molecular formula C33H35N and a molecular weight of 445.65 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-4-(2-phenylethenyl)-N-(4-propan-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-4-(2-phenylethenyl)-N-(4-propan-2-ylphenyl)aniline
PubChem CID89097686
Molecular FormulaC33H35N
Molecular Weight445.65 g/mol
Exact Mass445.28
IUPAC NameN-(4-butan-2-ylphenyl)-4-(2-phenylethenyl)-N-(4-propan-2-ylphenyl)aniline
SMILESCCC(C)c1ccc(N(c2ccc(C=Cc3ccccc3)cc2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C33H35N/c1-5-26(4)30-17-23-33(24-18-30)34(32-21-15-29(16-22-32)25(2)3)31-19-13-28(14-20-31)12-11-27-9-7-6-8-10-27/h6-26H,5H2,1-4H3
InChIKeyYLVIYXISHKRRAM-UHFFFAOYSA-N
XLogP9.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.65
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-[4-[(E)-2-[4-(4-butan-2-yl-N-(4-butan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-butan-2-ylphenyl)aniline
CID 59722331
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
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
N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane
CID 143909835
1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
N-[4-[4-[N-(4-butan-2-ylphenyl)-4-[3-[4-[N-(4-butan-2-ylphenyl)-4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59566466
4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 122451360
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
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
N-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane
CID 159095466

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-4-(2-phenylethenyl)-N-(4-propan-2-ylphenyl)aniline?
The IUPAC name of N-(4-butan-2-ylphenyl)-4-(2-phenylethenyl)-N-(4-propan-2-ylphenyl)aniline (CID 89097686) is N-(4-butan-2-ylphenyl)-4-(2-phenylethenyl)-N-(4-propan-2-ylphenyl)aniline.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-4-(2-phenylethenyl)-N-(4-propan-2-ylphenyl)aniline?
The canonical SMILES for N-(4-butan-2-ylphenyl)-4-(2-phenylethenyl)-N-(4-propan-2-ylphenyl)aniline is CCC(C)c1ccc(N(c2ccc(C=Cc3ccccc3)cc2)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-4-(2-phenylethenyl)-N-(4-propan-2-ylphenyl)aniline?
The InChIKey is YLVIYXISHKRRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N/c1-5-26(4)30-17-23-33(24-18-30)34(32-21-15-29(16-22-32)25(2)3)31-19-13-28(14-20-31)12-11-27-9-7-6-8-10-27/h6-26H,5H2,1-4H3.
What are the key properties of N-(4-butan-2-ylphenyl)-4-(2-phenylethenyl)-N-(4-propan-2-ylphenyl)aniline?
N-(4-butan-2-ylphenyl)-4-(2-phenylethenyl)-N-(4-propan-2-ylphenyl)aniline has a molecular weight of 445.65 g/mol, XLogP of 9.96, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-4-(2-phenylethenyl)-N-(4-propan-2-ylphenyl)aniline is sourced from PubChem (CID 89097686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).