4-[2,2-bis(3-tert-butylphenyl)ethenyl]-N-[4-[2,2-bis(3-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(3-tert-butylphenyl)-2-(3-prop-1-en-2-ylphenyl)ethenyl]phenyl]aniline

C83H89N — CID 89177567

IUPAC4-[2,2-bis(3-tert-butylphenyl)ethenyl]-N-[4-[2,2-bis(3-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(3-tert-butylphenyl)-2-(3-prop-1-en-2-ylphenyl)ethenyl]phenyl]aniline
SMILESC=C(C)c1cccc(/C(=C/c2ccc(N(c3ccc(C=C(c4cccc(C(C)(C)C)c4)c4cccc(C(C)(C)C)c4)cc3)c3ccc(C=C(c4cccc(C(C)(C)C)c4)c4cccc(C(C)(C)C)c4)cc3)cc2)c2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C83H89N/c1-57(2)61-24-18-25-62(51-61)76(63-26-19-31-68(52-63)79(3,4)5)48-58-36-42-73(43-37-58)84(74-44-38-59(39-45-74)49-77(64-27-20-32-69(53-64)80(6,7)8)65-28-21-33-70(54-65)81(9,10)11)75-46-40-60(41-47-75)50-78(66-29-22-34-71(55-66)82(12,13)14)67-30-23-35-72(56-67)83(15,16)17/h18-56H,1H2,2-17H3/b76-48-
InChIKeyLKEDGCGPYOEIQZ-ASIAWFRASA-N
MW1100.63 g/mol
LogP23.44
Rot. Bonds13

About 4-[2,2-bis(3-tert-butylphenyl)ethenyl]-N-[4-[2,2-bis(3-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(3-tert-butylphenyl)-2-(3-prop-1-en-2-ylphenyl)ethenyl]phenyl]aniline

4-[2,2-bis(3-tert-butylphenyl)ethenyl]-N-[4-[2,2-bis(3-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(3-tert-butylphenyl)-2-(3-prop-1-en-2-ylphenyl)ethenyl]phenyl]aniline (PubChem CID 89177567) has the molecular formula C83H89N and a molecular weight of 1100.63 g/mol. Its IUPAC name is 4-[2,2-bis(3-tert-butylphenyl)ethenyl]-N-[4-[2,2-bis(3-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(3-tert-butylphenyl)-2-(3-prop-1-en-2-ylphenyl)ethenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[2,2-bis(3-tert-butylphenyl)ethenyl]-N-[4-[2,2-bis(3-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(3-tert-butylphenyl)-2-(3-prop-1-en-2-ylphenyl)ethenyl]phenyl]aniline
PubChem CID89177567
Molecular FormulaC83H89N
Molecular Weight1100.63 g/mol
Exact Mass1099.70
IUPAC Name4-[2,2-bis(3-tert-butylphenyl)ethenyl]-N-[4-[2,2-bis(3-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(3-tert-butylphenyl)-2-(3-prop-1-en-2-ylphenyl)ethenyl]phenyl]aniline
SMILESC=C(C)c1cccc(/C(=C/c2ccc(N(c3ccc(C=C(c4cccc(C(C)(C)C)c4)c4cccc(C(C)(C)C)c4)cc3)c3ccc(C=C(c4cccc(C(C)(C)C)c4)c4cccc(C(C)(C)C)c4)cc3)cc2)c2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C83H89N/c1-57(2)61-24-18-25-62(51-61)76(63-26-19-31-68(52-63)79(3,4)5)48-58-36-42-73(43-37-58)84(74-44-38-59(39-45-74)49-77(64-27-20-32-69(53-64)80(6,7)8)65-28-21-33-70(54-65)81(9,10)11)75-46-40-60(41-47-75)50-78(66-29-22-34-71(55-66)82(12,13)14)67-30-23-35-72(56-67)83(15,16)17/h18-56H,1H2,2-17H3/b76-48-
InChIKeyLKEDGCGPYOEIQZ-ASIAWFRASA-N
XLogP23.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001100.63
LogP ≤ 523.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[2,2-bis(3-tert-butylphenyl)ethenyl]-N-[4-[2,2-bis(3-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(3-tert-butylphenyl)-2-(3-prop-1-en-2-ylphenyl)ethenyl]phenyl]aniline with MolForge

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Related Compounds

N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene
CID 134569595
1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene
CID 58759055
1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone
CID 91417911
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856
1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene;isocyanic acid
CID 87222174
1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane
CID 175999840
4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline
CID 170098385
N-[4-[2-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-3,4-dimethylaniline
CID 72573967
N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline
CID 71344437
prop-1-en-2-yl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid
CID 67918073

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-bis(3-tert-butylphenyl)ethenyl]-N-[4-[2,2-bis(3-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(3-tert-butylphenyl)-2-(3-prop-1-en-2-ylphenyl)ethenyl]phenyl]aniline?
The IUPAC name of 4-[2,2-bis(3-tert-butylphenyl)ethenyl]-N-[4-[2,2-bis(3-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(3-tert-butylphenyl)-2-(3-prop-1-en-2-ylphenyl)ethenyl]phenyl]aniline (CID 89177567) is 4-[2,2-bis(3-tert-butylphenyl)ethenyl]-N-[4-[2,2-bis(3-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(3-tert-butylphenyl)-2-(3-prop-1-en-2-ylphenyl)ethenyl]phenyl]aniline.
What is the SMILES notation for 4-[2,2-bis(3-tert-butylphenyl)ethenyl]-N-[4-[2,2-bis(3-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(3-tert-butylphenyl)-2-(3-prop-1-en-2-ylphenyl)ethenyl]phenyl]aniline?
The canonical SMILES for 4-[2,2-bis(3-tert-butylphenyl)ethenyl]-N-[4-[2,2-bis(3-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(3-tert-butylphenyl)-2-(3-prop-1-en-2-ylphenyl)ethenyl]phenyl]aniline is C=C(C)c1cccc(/C(=C/c2ccc(N(c3ccc(C=C(c4cccc(C(C)(C)C)c4)c4cccc(C(C)(C)C)c4)cc3)c3ccc(C=C(c4cccc(C(C)(C)C)c4)c4cccc(C(C)(C)C)c4)cc3)cc2)c2cccc(C(C)(C)C)c2)c1.
What is the InChIKey of 4-[2,2-bis(3-tert-butylphenyl)ethenyl]-N-[4-[2,2-bis(3-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(3-tert-butylphenyl)-2-(3-prop-1-en-2-ylphenyl)ethenyl]phenyl]aniline?
The InChIKey is LKEDGCGPYOEIQZ-ASIAWFRASA-N. The full InChI is InChI=1S/C83H89N/c1-57(2)61-24-18-25-62(51-61)76(63-26-19-31-68(52-63)79(3,4)5)48-58-36-42-73(43-37-58)84(74-44-38-59(39-45-74)49-77(64-27-20-32-69(53-64)80(6,7)8)65-28-21-33-70(54-65)81(9,10)11)75-46-40-60(41-47-75)50-78(66-29-22-34-71(55-66)82(12,13)14)67-30-23-35-72(56-67)83(15,16)17/h18-56H,1H2,2-17H3/b76-48-.
What are the key properties of 4-[2,2-bis(3-tert-butylphenyl)ethenyl]-N-[4-[2,2-bis(3-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(3-tert-butylphenyl)-2-(3-prop-1-en-2-ylphenyl)ethenyl]phenyl]aniline?
4-[2,2-bis(3-tert-butylphenyl)ethenyl]-N-[4-[2,2-bis(3-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(3-tert-butylphenyl)-2-(3-prop-1-en-2-ylphenyl)ethenyl]phenyl]aniline has a molecular weight of 1100.63 g/mol, XLogP of 23.44, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-bis(3-tert-butylphenyl)ethenyl]-N-[4-[2,2-bis(3-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(3-tert-butylphenyl)-2-(3-prop-1-en-2-ylphenyl)ethenyl]phenyl]aniline is sourced from PubChem (CID 89177567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).