N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-methylphenyl]-3-methyl-N-(4-propylphenyl)aniline

C64H64N2O2 — CID 89104346

IUPACN-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-methylphenyl]-3-methyl-N-(4-propylphenyl)aniline
SMILESC=Cc1ccc(COCc2ccc(N(c3ccc(CCC)cc3)c3ccc(-c4ccc(N(c5ccc(CCC)cc5)c5ccc(COCc6ccc(C=C)cc6)cc5)cc4C)c(C)c3)cc2)cc1
InChIInChI=1S/C64H64N2O2/c1-7-11-51-21-29-57(30-22-51)65(59-33-25-55(26-34-59)45-67-43-53-17-13-49(9-3)14-18-53)61-37-39-63(47(5)41-61)64-40-38-62(42-48(64)6)66(58-31-23-52(12-8-2)24-32-58)60-35-27-56(28-36-60)46-68-44-54-19-15-50(10-4)16-20-54/h9-10,13-42H,3-4,7-8,11-12,43-46H2,1-2,5-6H3
InChIKeyRSQATZALYVVSRH-UHFFFAOYSA-N
MW893.23 g/mol
LogP17.53
Rot. Bonds21

About N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-methylphenyl]-3-methyl-N-(4-propylphenyl)aniline

N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-methylphenyl]-3-methyl-N-(4-propylphenyl)aniline (PubChem CID 89104346) has the molecular formula C64H64N2O2 and a molecular weight of 893.23 g/mol. Its IUPAC name is N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-methylphenyl]-3-methyl-N-(4-propylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-methylphenyl]-3-methyl-N-(4-propylphenyl)aniline
PubChem CID89104346
Molecular FormulaC64H64N2O2
Molecular Weight893.23 g/mol
Exact Mass892.50
IUPAC NameN-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-methylphenyl]-3-methyl-N-(4-propylphenyl)aniline
SMILESC=Cc1ccc(COCc2ccc(N(c3ccc(CCC)cc3)c3ccc(-c4ccc(N(c5ccc(CCC)cc5)c5ccc(COCc6ccc(C=C)cc6)cc5)cc4C)c(C)c3)cc2)cc1
InChIInChI=1S/C64H64N2O2/c1-7-11-51-21-29-57(30-22-51)65(59-33-25-55(26-34-59)45-67-43-53-17-13-49(9-3)14-18-53)61-37-39-63(47(5)41-61)64-40-38-62(42-48(64)6)66(58-31-23-52(12-8-2)24-32-58)60-35-27-56(28-36-60)46-68-44-54-19-15-50(10-4)16-20-54/h9-10,13-42H,3-4,7-8,11-12,43-46H2,1-2,5-6H3
InChIKeyRSQATZALYVVSRH-UHFFFAOYSA-N
XLogP17.53
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.23
LogP ≤ 517.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-methylphenyl]-3-methyl-N-(4-propylphenyl)aniline with MolForge

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Related Compounds

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
N-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline
CID 89419387
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
N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-N-[4-[2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-pyren-2-ylanilino]phenyl]ethyl]phenyl]pyren-2-amine
CID 89417382
(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
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
2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate
CID 89417418
N-(4-ethenylphenyl)-4-methoxy-N-(4-methoxy-3-methylphenyl)-3-methylaniline
CID 69462200
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
4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 176734791
N-[4-[4-[4-[4-(4-bromo-2,6-dimethylphenyl)-N-[3-methyl-4-(4-propylphenyl)phenyl]anilino]-2-methylphenyl]-2,5-dimethylphenyl]-3-methylphenyl]-N-[4-(4-bromo-2,6-dimethylphenyl)phenyl]-3-methyl-4-(4-propylphenyl)aniline
CID 54766780

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-methylphenyl]-3-methyl-N-(4-propylphenyl)aniline?
The IUPAC name of 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) is N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-methylphenyl]-3-methyl-N-(4-propylphenyl)aniline.
What is the SMILES notation for N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-methylphenyl]-3-methyl-N-(4-propylphenyl)aniline?
The canonical SMILES for N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-methylphenyl]-3-methyl-N-(4-propylphenyl)aniline is C=Cc1ccc(COCc2ccc(N(c3ccc(CCC)cc3)c3ccc(-c4ccc(N(c5ccc(CCC)cc5)c5ccc(COCc6ccc(C=C)cc6)cc5)cc4C)c(C)c3)cc2)cc1.
What is the InChIKey of N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-methylphenyl]-3-methyl-N-(4-propylphenyl)aniline?
The InChIKey is RSQATZALYVVSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H64N2O2/c1-7-11-51-21-29-57(30-22-51)65(59-33-25-55(26-34-59)45-67-43-53-17-13-49(9-3)14-18-53)61-37-39-63(47(5)41-61)64-40-38-62(42-48(64)6)66(58-31-23-52(12-8-2)24-32-58)60-35-27-56(28-36-60)46-68-44-54-19-15-50(10-4)16-20-54/h9-10,13-42H,3-4,7-8,11-12,43-46H2,1-2,5-6H3.
What are the key properties of N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-methylphenyl]-3-methyl-N-(4-propylphenyl)aniline?
N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-methylphenyl]-3-methyl-N-(4-propylphenyl)aniline has a molecular weight of 893.23 g/mol, XLogP of 17.53, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-methylphenyl]-3-methyl-N-(4-propylphenyl)aniline is sourced from PubChem (CID 89104346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).