2-[4-[[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]-phenylmethyl]phenyl]ethanol

C41H37NO2 — CID 54265390

IUPAC2-[4-[[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]-phenylmethyl]phenyl]ethanol
SMILESOCCc1ccc(C(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(CCO)cc4)cc3)cc2)cc1
InChIInChI=1S/C41H37NO2/c43-29-27-31-11-15-36(16-12-31)41(35-7-3-1-4-8-35)37-19-17-33(18-20-37)34-21-25-40(26-22-34)42(38-9-5-2-6-10-38)39-23-13-32(14-24-39)28-30-44/h1-26,41,43-44H,27-30H2
InChIKeyRGJQXYKPUDGRQH-UHFFFAOYSA-N
MW575.75 g/mol
LogP9.07
Rot. Bonds11

About 2-[4-[[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]-phenylmethyl]phenyl]ethanol

2-[4-[[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]-phenylmethyl]phenyl]ethanol (PubChem CID 54265390) has the molecular formula C41H37NO2 and a molecular weight of 575.75 g/mol. Its IUPAC name is 2-[4-[[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]-phenylmethyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]-phenylmethyl]phenyl]ethanol
PubChem CID54265390
Molecular FormulaC41H37NO2
Molecular Weight575.75 g/mol
Exact Mass575.28
IUPAC Name2-[4-[[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]-phenylmethyl]phenyl]ethanol
SMILESOCCc1ccc(C(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(CCO)cc4)cc3)cc2)cc1
InChIInChI=1S/C41H37NO2/c43-29-27-31-11-15-36(16-12-31)41(35-7-3-1-4-8-35)37-19-17-33(18-20-37)34-21-25-40(26-22-34)42(38-9-5-2-6-10-38)39-23-13-32(14-24-39)28-30-44/h1-26,41,43-44H,27-30H2
InChIKeyRGJQXYKPUDGRQH-UHFFFAOYSA-N
XLogP9.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.75
LogP ≤ 59.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol
CID 20580118
2-[4-[4-(2-hydroxyethyl)-N-[4-(2-hydroxyethyl)phenyl]anilino]phenyl]ethanol
CID 20580135
1-N,1-N,4-N-triphenyl-4-N-[4-[4-[2-phenyl-2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]phenyl]benzene-1,4-diamine
CID 123954452
2-[3-(N-(4-phenylphenyl)anilino)phenyl]ethanol
CID 20580073
4-[4-[2-[4-[4-(N-[4-[4-(1,2-diphenylethyl)phenyl]phenyl]anilino)phenyl]phenyl]-2-phenylethyl]phenyl]-N,N-diphenylaniline
CID 143893805
1,3-bis[4-(N-phenylanilino)phenyl]propan-1-ol
CID 23561857
2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol
CID 70214853
4-[(E)-2-(4-benzhydrylphenyl)-1,2-diphenylethenyl]-N,N-diphenylaniline
CID 70987021
4-N-[3-[3-[3-(N-(4-benzhydrylphenyl)anilino)phenyl]-5-phenylphenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 90071775
3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline
CID 134172904

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]-phenylmethyl]phenyl]ethanol?
The IUPAC name of 2-[4-[[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]-phenylmethyl]phenyl]ethanol (CID 54265390) is 2-[4-[[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]-phenylmethyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]-phenylmethyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]-phenylmethyl]phenyl]ethanol is OCCc1ccc(C(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(CCO)cc4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]-phenylmethyl]phenyl]ethanol?
The InChIKey is RGJQXYKPUDGRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H37NO2/c43-29-27-31-11-15-36(16-12-31)41(35-7-3-1-4-8-35)37-19-17-33(18-20-37)34-21-25-40(26-22-34)42(38-9-5-2-6-10-38)39-23-13-32(14-24-39)28-30-44/h1-26,41,43-44H,27-30H2.
What are the key properties of 2-[4-[[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]-phenylmethyl]phenyl]ethanol?
2-[4-[[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]-phenylmethyl]phenyl]ethanol has a molecular weight of 575.75 g/mol, XLogP of 9.07, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]-phenylmethyl]phenyl]ethanol is sourced from PubChem (CID 54265390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).