N-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline

C38H37NO — CID 89419387

IUPACN-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline
SMILESC=Cc1ccc(COCCCc2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C38H37NO/c1-4-31-13-15-33(16-14-31)28-40-26-8-9-32-17-22-36(23-18-32)39(38-21-12-29(2)30(3)27-38)37-24-19-35(20-25-37)34-10-6-5-7-11-34/h4-7,10-25,27H,1,8-9,26,28H2,2-3H3
InChIKeyUXVVPTAEFOTNAQ-UHFFFAOYSA-N
MW523.72 g/mol
LogP10.23
Rot. Bonds11

About N-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline

N-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline (PubChem CID 89419387) has the molecular formula C38H37NO and a molecular weight of 523.72 g/mol. Its IUPAC name is N-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline
PubChem CID89419387
Molecular FormulaC38H37NO
Molecular Weight523.72 g/mol
Exact Mass523.29
IUPAC NameN-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline
SMILESC=Cc1ccc(COCCCc2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C38H37NO/c1-4-31-13-15-33(16-14-31)28-40-26-8-9-32-17-22-36(23-18-32)39(38-21-12-29(2)30(3)27-38)37-24-19-35(20-25-37)34-10-6-5-7-11-34/h4-7,10-25,27H,1,8-9,26,28H2,2-3H3
InChIKeyUXVVPTAEFOTNAQ-UHFFFAOYSA-N
XLogP10.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.72
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(3-phenylmethoxypropyl)anilino]phenyl]ethyl]phenyl]-3,4-dimethyl-N-[4-(3-phenylmethoxypropyl)phenyl]aniline
CID 71277351
4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline
CID 89417377
N-[4-[(E)-2-[3-[(E)-2-[4-[N-(3,4-dimethylphenyl)-4-[2-[(4-ethenylphenyl)methoxy]ethyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]phenyl]-3,4-dimethylaniline
CID 89419391
3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate
CID 58571420
N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-3-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclohexen-1-yl]-N-phenylaniline
CID 139426844
N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[4-(N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)-2-hexylphenyl]-3-hexyl-N-phenylaniline
CID 139426917
2-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]ethyl prop-2-enoate
CID 170007474
N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-methylphenyl]-3-methyl-N-(4-propylphenyl)aniline
CID 89104346
(4-ethenylphenyl)methyl 3-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-[N-(3,4-dimethylphenyl)-4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]anilino]phenyl]ethyl]anilino]phenyl]propanoate
CID 89419347
1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59470459
ethene;3-[3-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-benzothiophen-1-yl]-N-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-N-(4-propylphenyl)-2-benzothiophen-1-amine
CID 161090780
N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline
CID 89417368

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline (CID 89419387) is N-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline is C=Cc1ccc(COCCCc2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C)c(C)c3)cc2)cc1.
What is the InChIKey of N-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline?
The InChIKey is UXVVPTAEFOTNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37NO/c1-4-31-13-15-33(16-14-31)28-40-26-8-9-32-17-22-36(23-18-32)39(38-21-12-29(2)30(3)27-38)37-24-19-35(20-25-37)34-10-6-5-7-11-34/h4-7,10-25,27H,1,8-9,26,28H2,2-3H3.
What are the key properties of N-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline?
N-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline has a molecular weight of 523.72 g/mol, XLogP of 10.23, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 89419387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).