N-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline

C48H50N2 — CID 157179618

IUPACN-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline
SMILESC/C(=C(/C)c1ccc(N(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1)c1ccc(N(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C48H50N2/c1-35(37-19-27-43(28-20-37)49(41-15-11-9-12-16-41)45-31-23-39(24-32-45)47(3,4)5)36(2)38-21-29-44(30-22-38)50(42-17-13-10-14-18-42)46-33-25-40(26-34-46)48(6,7)8/h9-34H,1-8H3/b36-35+
InChIKeyYYRQZDRPNMZZTL-ULDVOPSXSA-N
MW654.94 g/mol
LogP14.17
Rot. Bonds8

About N-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline

N-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline (PubChem CID 157179618) has the molecular formula C48H50N2 and a molecular weight of 654.94 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline
PubChem CID157179618
Molecular FormulaC48H50N2
Molecular Weight654.94 g/mol
Exact Mass654.40
IUPAC NameN-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline
SMILESC/C(=C(/C)c1ccc(N(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1)c1ccc(N(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C48H50N2/c1-35(37-19-27-43(28-20-37)49(41-15-11-9-12-16-41)45-31-23-39(24-32-45)47(3,4)5)36(2)38-21-29-44(30-22-38)50(42-17-13-10-14-18-42)46-33-25-40(26-34-46)48(6,7)8/h9-34H,1-8H3/b36-35+
InChIKeyYYRQZDRPNMZZTL-ULDVOPSXSA-N
XLogP14.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.94
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N,N-diphenylaniline
CID 11312667
(4-tert-butylphenyl)-[4-(N-[4-(1-sulfanylethyl)phenyl]anilino)phenyl]methanone
CID 139493170
4-N-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59221775
2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one
CID 86015033
1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143918142
N,4-ditert-butyl-N-phenylaniline
CID 91172141
4-(N-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenyl]anilino)benzoic acid
CID 101098774
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
[4-[4-[[4-(4-benzoylphenyl)phenyl]-bis[4-(N-phenylanilino)phenyl]methyl]phenyl]phenyl]-phenylmethanone
CID 122429601
methyl 4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzoate
CID 134274011
1-N,3-N-bis(4-tert-butylphenyl)-1-N,3-N,5-tris(4-phenylphenyl)benzene-1,3-diamine
CID 90097412
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline?
The IUPAC name of N-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline (CID 157179618) is N-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline?
The canonical SMILES for N-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline is C/C(=C(/C)c1ccc(N(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1)c1ccc(N(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline?
The InChIKey is YYRQZDRPNMZZTL-ULDVOPSXSA-N. The full InChI is InChI=1S/C48H50N2/c1-35(37-19-27-43(28-20-37)49(41-15-11-9-12-16-41)45-31-23-39(24-32-45)47(3,4)5)36(2)38-21-29-44(30-22-38)50(42-17-13-10-14-18-42)46-33-25-40(26-34-46)48(6,7)8/h9-34H,1-8H3/b36-35+.
What are the key properties of N-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline?
N-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline has a molecular weight of 654.94 g/mol, XLogP of 14.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline is sourced from PubChem (CID 157179618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).