4-ethenyl-N-[4-[(4-ethenylphenyl)-phenylmethyl]phenyl]-N-phenylaniline

C35H29N — CID 118505157

IUPAC4-ethenyl-N-[4-[(4-ethenylphenyl)-phenylmethyl]phenyl]-N-phenylaniline
SMILESC=Cc1ccc(C(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(C=C)cc3)cc2)cc1
InChIInChI=1S/C35H29N/c1-3-27-15-19-30(20-16-27)35(29-11-7-5-8-12-29)31-21-25-34(26-22-31)36(32-13-9-6-10-14-32)33-23-17-28(4-2)18-24-33/h3-26,35H,1-2H2
InChIKeyYKOWHTBWIUDJMO-UHFFFAOYSA-N
MW463.62 g/mol
LogP9.62
Rot. Bonds8

About 4-ethenyl-N-[4-[(4-ethenylphenyl)-phenylmethyl]phenyl]-N-phenylaniline

4-ethenyl-N-[4-[(4-ethenylphenyl)-phenylmethyl]phenyl]-N-phenylaniline (PubChem CID 118505157) has the molecular formula C35H29N and a molecular weight of 463.62 g/mol. Its IUPAC name is 4-ethenyl-N-[4-[(4-ethenylphenyl)-phenylmethyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-ethenyl-N-[4-[(4-ethenylphenyl)-phenylmethyl]phenyl]-N-phenylaniline
PubChem CID118505157
Molecular FormulaC35H29N
Molecular Weight463.62 g/mol
Exact Mass463.23
IUPAC Name4-ethenyl-N-[4-[(4-ethenylphenyl)-phenylmethyl]phenyl]-N-phenylaniline
SMILESC=Cc1ccc(C(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(C=C)cc3)cc2)cc1
InChIInChI=1S/C35H29N/c1-3-27-15-19-30(20-16-27)35(29-11-7-5-8-12-29)31-21-25-34(26-22-31)36(32-13-9-6-10-14-32)33-23-17-28(4-2)18-24-33/h3-26,35H,1-2H2
InChIKeyYKOWHTBWIUDJMO-UHFFFAOYSA-N
XLogP9.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.62
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-ethenylphenyl)ethenyl]-N-[4-[2-(4-ethenylphenyl)ethenyl]phenyl]-N-phenylaniline
CID 142673851
4-ethenyl-N,N-diphenylaniline;4-ethenyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 162186031
4-(4-benzhydrylphenyl)-N,N-diphenylaniline
CID 58782687
N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline
CID 118359961
N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline
CID 89417368
4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline
CID 142226896
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde
CID 160992950
4-[(E)-2-(4-benzhydrylphenyl)-1,2-diphenylethenyl]-N,N-diphenylaniline
CID 70987021
4-[(E)-2-[2-[4-[(E)-2-(4-benzhydrylphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-diphenylaniline
CID 140822198
4-N-(4-ethenylphenyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;methylidene(triphenyl)-λ5-phosphane;4-(N-[4-(N-phenylanilino)phenyl]anilino)benzaldehyde
CID 159908883
3-ethenyl-N-(3-ethenylphenyl)-N-phenylaniline
CID 58099838
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-[4-[(4-ethenylphenyl)-phenylmethyl]phenyl]-N-phenylaniline?
The IUPAC name of 4-ethenyl-N-[4-[(4-ethenylphenyl)-phenylmethyl]phenyl]-N-phenylaniline (CID 118505157) is 4-ethenyl-N-[4-[(4-ethenylphenyl)-phenylmethyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-ethenyl-N-[4-[(4-ethenylphenyl)-phenylmethyl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-ethenyl-N-[4-[(4-ethenylphenyl)-phenylmethyl]phenyl]-N-phenylaniline is C=Cc1ccc(C(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(C=C)cc3)cc2)cc1.
What is the InChIKey of 4-ethenyl-N-[4-[(4-ethenylphenyl)-phenylmethyl]phenyl]-N-phenylaniline?
The InChIKey is YKOWHTBWIUDJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N/c1-3-27-15-19-30(20-16-27)35(29-11-7-5-8-12-29)31-21-25-34(26-22-31)36(32-13-9-6-10-14-32)33-23-17-28(4-2)18-24-33/h3-26,35H,1-2H2.
What are the key properties of 4-ethenyl-N-[4-[(4-ethenylphenyl)-phenylmethyl]phenyl]-N-phenylaniline?
4-ethenyl-N-[4-[(4-ethenylphenyl)-phenylmethyl]phenyl]-N-phenylaniline has a molecular weight of 463.62 g/mol, XLogP of 9.62, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-[4-[(4-ethenylphenyl)-phenylmethyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 118505157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).