[4-(N-[4-[1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2-methyl-3-(4-methylphenyl)propyl]phenyl]-4-methylanilino)phenyl]methanol

C51H50N2O2 — CID 58133230

IUPAC[4-(N-[4-[1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2-methyl-3-(4-methylphenyl)propyl]phenyl]-4-methylanilino)phenyl]methanol
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc(C(c3ccc(N(c4ccc(C)cc4)c4ccc(CO)cc4)cc3)C(C)Cc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C51H50N2O2/c1-36-6-12-40(13-7-36)34-39(4)51(42-16-26-47(27-17-42)52(44-20-8-37(2)9-21-44)46-24-14-41(35-54)15-25-46)43-18-28-48(29-19-43)53(45-22-10-38(3)11-23-45)49-30-32-50(55-5)33-31-49/h6-33,39,51,54H,34-35H2,1-5H3
InChIKeyBPPNLXRTQYRVKX-UHFFFAOYSA-N
MW722.97 g/mol
LogP13.06
Rot. Bonds13

About [4-(N-[4-[1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2-methyl-3-(4-methylphenyl)propyl]phenyl]-4-methylanilino)phenyl]methanol

[4-(N-[4-[1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2-methyl-3-(4-methylphenyl)propyl]phenyl]-4-methylanilino)phenyl]methanol (PubChem CID 58133230) has the molecular formula C51H50N2O2 and a molecular weight of 722.97 g/mol. Its IUPAC name is [4-(N-[4-[1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2-methyl-3-(4-methylphenyl)propyl]phenyl]-4-methylanilino)phenyl]methanol.

Molecular Properties

Compound Name[4-(N-[4-[1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2-methyl-3-(4-methylphenyl)propyl]phenyl]-4-methylanilino)phenyl]methanol
PubChem CID58133230
Molecular FormulaC51H50N2O2
Molecular Weight722.97 g/mol
Exact Mass722.39
IUPAC Name[4-(N-[4-[1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2-methyl-3-(4-methylphenyl)propyl]phenyl]-4-methylanilino)phenyl]methanol
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc(C(c3ccc(N(c4ccc(C)cc4)c4ccc(CO)cc4)cc3)C(C)Cc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C51H50N2O2/c1-36-6-12-40(13-7-36)34-39(4)51(42-16-26-47(27-17-42)52(44-20-8-37(2)9-21-44)46-24-14-41(35-54)15-25-46)43-18-28-48(29-19-43)53(45-22-10-38(3)11-23-45)49-30-32-50(55-5)33-31-49/h6-33,39,51,54H,34-35H2,1-5H3
InChIKeyBPPNLXRTQYRVKX-UHFFFAOYSA-N
XLogP13.06
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.97
LogP ≤ 513.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(N-[4-[1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2-methyl-3-(4-methylphenyl)propyl]phenyl]-4-methylanilino)phenyl]methanol 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

[4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol
CID 157214226
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
(4-methoxyphenyl)methanol
CID 7738
[4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol
CID 124567142
1-[2-bromo-2-(4-methoxyphenyl)ethyl]-4-methylbenzene
CID 63437164
1-methoxy-4-methylbenzene;propane
CID 142064987
N-[4-[2-methyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]butyl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine
CID 58133213
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
CID 58325614
[4-[4-(hydroxymethyl)-N-[4-[(Z)-1-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-2-[4-[(E)-2-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino]phenyl]methanol
CID 159978372
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647

Frequently Asked Questions

What is the IUPAC name of [4-(N-[4-[1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2-methyl-3-(4-methylphenyl)propyl]phenyl]-4-methylanilino)phenyl]methanol?
The IUPAC name of [4-(N-[4-[1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2-methyl-3-(4-methylphenyl)propyl]phenyl]-4-methylanilino)phenyl]methanol (CID 58133230) is [4-(N-[4-[1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2-methyl-3-(4-methylphenyl)propyl]phenyl]-4-methylanilino)phenyl]methanol.
What is the SMILES notation for [4-(N-[4-[1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2-methyl-3-(4-methylphenyl)propyl]phenyl]-4-methylanilino)phenyl]methanol?
The canonical SMILES for [4-(N-[4-[1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2-methyl-3-(4-methylphenyl)propyl]phenyl]-4-methylanilino)phenyl]methanol is COc1ccc(N(c2ccc(C)cc2)c2ccc(C(c3ccc(N(c4ccc(C)cc4)c4ccc(CO)cc4)cc3)C(C)Cc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of [4-(N-[4-[1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2-methyl-3-(4-methylphenyl)propyl]phenyl]-4-methylanilino)phenyl]methanol?
The InChIKey is BPPNLXRTQYRVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H50N2O2/c1-36-6-12-40(13-7-36)34-39(4)51(42-16-26-47(27-17-42)52(44-20-8-37(2)9-21-44)46-24-14-41(35-54)15-25-46)43-18-28-48(29-19-43)53(45-22-10-38(3)11-23-45)49-30-32-50(55-5)33-31-49/h6-33,39,51,54H,34-35H2,1-5H3.
What are the key properties of [4-(N-[4-[1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2-methyl-3-(4-methylphenyl)propyl]phenyl]-4-methylanilino)phenyl]methanol?
[4-(N-[4-[1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2-methyl-3-(4-methylphenyl)propyl]phenyl]-4-methylanilino)phenyl]methanol has a molecular weight of 722.97 g/mol, XLogP of 13.06, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N-[4-[1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2-methyl-3-(4-methylphenyl)propyl]phenyl]-4-methylanilino)phenyl]methanol is sourced from PubChem (CID 58133230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).