[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]methanol

C42H40N2O2 — CID 18935095

IUPAC[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]methanol
SMILESCCc1ccc(N(c2ccc(CO)cc2)c2ccc(-c3ccc(N(c4ccc(CC)cc4)c4ccc(CO)cc4)cc3)cc2)cc1
InChIInChI=1S/C42H40N2O2/c1-3-31-5-17-37(18-6-31)43(39-21-9-33(29-45)10-22-39)41-25-13-35(14-26-41)36-15-27-42(28-16-36)44(38-19-7-32(4-2)8-20-38)40-23-11-34(30-46)12-24-40/h5-28,45-46H,3-4,29-30H2,1-2H3
InChIKeyCYHGATWPHJPANS-UHFFFAOYSA-N
MW604.79 g/mol
LogP10.40
Rot. Bonds11

About [4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]methanol

[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]methanol (PubChem CID 18935095) has the molecular formula C42H40N2O2 and a molecular weight of 604.79 g/mol. Its IUPAC name is [4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]methanol.

Molecular Properties

Compound Name[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]methanol
PubChem CID18935095
Molecular FormulaC42H40N2O2
Molecular Weight604.79 g/mol
Exact Mass604.31
IUPAC Name[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]methanol
SMILESCCc1ccc(N(c2ccc(CO)cc2)c2ccc(-c3ccc(N(c4ccc(CC)cc4)c4ccc(CO)cc4)cc3)cc2)cc1
InChIInChI=1S/C42H40N2O2/c1-3-31-5-17-37(18-6-31)43(39-21-9-33(29-45)10-22-39)41-25-13-35(14-26-41)36-15-27-42(28-16-36)44(38-19-7-32(4-2)8-20-38)40-23-11-34(30-46)12-24-40/h5-28,45-46H,3-4,29-30H2,1-2H3
InChIKeyCYHGATWPHJPANS-UHFFFAOYSA-N
XLogP10.40
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.79
LogP ≤ 510.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)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-(N-(4-ethylphenyl)-4-methylanilino)phenyl]methanol;[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]methanol
CID 159917038
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121323857
N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline
CID 59863422
4-ethyl-N-(4-ethylphenyl)-N-[4-[4-[4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]anilino]phenyl]phenyl]aniline
CID 59479623
[4-[(4-ethylphenyl)methyl]phenyl]methanol
CID 141147432
[4-[N-[4-(hydroxymethyl)-3-methylphenyl]-4-[4-(N-[4-(hydroxymethyl)-3-methylphenyl]-4-methylanilino)phenyl]anilino]phenyl]methanol
CID 59392122
4-[4-[(Z)-2-(4-ethylphenyl)-1-phenyl-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]-N,N-diphenylaniline
CID 134394669
CID 101010389
CID 101010389
[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol
CID 54528653
(4-ethylphenyl)methanol;formamide
CID 142287021
N-(4-ethylphenyl)-4-methyl-N-phenylaniline
CID 58800452

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]methanol?
The IUPAC name of [4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]methanol (CID 18935095) is [4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]methanol.
What is the SMILES notation for [4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]methanol?
The canonical SMILES for [4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]methanol is CCc1ccc(N(c2ccc(CO)cc2)c2ccc(-c3ccc(N(c4ccc(CC)cc4)c4ccc(CO)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]methanol?
The InChIKey is CYHGATWPHJPANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40N2O2/c1-3-31-5-17-37(18-6-31)43(39-21-9-33(29-45)10-22-39)41-25-13-35(14-26-41)36-15-27-42(28-16-36)44(38-19-7-32(4-2)8-20-38)40-23-11-34(30-46)12-24-40/h5-28,45-46H,3-4,29-30H2,1-2H3.
What are the key properties of [4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]methanol?
[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]methanol has a molecular weight of 604.79 g/mol, XLogP of 10.40, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]methanol is sourced from PubChem (CID 18935095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).