4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol

C51H57NO9 — CID 23539942

IUPAC4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
SMILESCC(C)(c1ccc(N(c2ccc(C(C)(C)c3cc(CO)c(O)c(CO)c3)cc2)c2ccc(C(C)(C)c3cc(CO)c(O)c(CO)c3)cc2)cc1)c1cc(CO)c(O)c(CO)c1
InChIInChI=1S/C51H57NO9/c1-49(2,40-19-31(25-53)46(59)32(20-40)26-54)37-7-13-43(14-8-37)52(44-15-9-38(10-16-44)50(3,4)41-21-33(27-55)47(60)34(22-41)28-56)45-17-11-39(12-18-45)51(5,6)42-23-35(29-57)48(61)36(24-42)30-58/h7-24,53-61H,25-30H2,1-6H3
InChIKeyKQRVZGYVNADLKL-UHFFFAOYSA-N
MW828.01 g/mol
LogP8.20
Rot. Bonds15

About 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol

4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol (PubChem CID 23539942) has the molecular formula C51H57NO9 and a molecular weight of 828.01 g/mol. Its IUPAC name is 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
PubChem CID23539942
Molecular FormulaC51H57NO9
Molecular Weight828.01 g/mol
Exact Mass827.40
IUPAC Name4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
SMILESCC(C)(c1ccc(N(c2ccc(C(C)(C)c3cc(CO)c(O)c(CO)c3)cc2)c2ccc(C(C)(C)c3cc(CO)c(O)c(CO)c3)cc2)cc1)c1cc(CO)c(O)c(CO)c1
InChIInChI=1S/C51H57NO9/c1-49(2,40-19-31(25-53)46(59)32(20-40)26-54)37-7-13-43(14-8-37)52(44-15-9-38(10-16-44)50(3,4)41-21-33(27-55)47(60)34(22-41)28-56)45-17-11-39(12-18-45)51(5,6)42-23-35(29-57)48(61)36(24-42)30-58/h7-24,53-61H,25-30H2,1-6H3
InChIKeyKQRVZGYVNADLKL-UHFFFAOYSA-N
XLogP8.20
TPSA185.31 Ų
H-Bond Donors9
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500828.01
LogP ≤ 58.20
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1010

Analyze 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol 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-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
CID 20809986
4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
CID 22743719
4-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-3-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-hydroxy-3-(hydroxymethyl)phenyl]methoxymethyl]-2-hydroxyphenyl]methyl]-6-(hydroxymethyl)phenol
CID 20809985
2-tert-butyl-4-[2-[3-tert-butyl-4-hydroxy-5-(hydroxymethyl)phenyl]propan-2-yl]-6-(hydroxymethyl)phenol
CID 10811012
2-(2-hydroxyethyl)-4-[2-[3-[2-[4-hydroxy-3-(2-hydroxyethyl)-5-(methoxymethyl)phenyl]propan-2-yl]-5-[2-[4-hydroxy-3-(hydroxymethyl)-5-(methoxymethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-6-(hydroxymethyl)phenol
CID 90335386
4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67945373
4-[2-[4-(diethylamino)phenyl]propan-2-yl]phenol
CID 174631371
2-butyl-4-(2-phenylpropan-2-yl)-6-propylphenol
CID 66879504
4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[2-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]propan-2-yl]phenyl]aniline
CID 158713141
3,5-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenol
CID 171750673
4-[1-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-1-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethyl]-2,6-dimethylphenol;methanol
CID 145345584
2-[2-[4-[2-[2-hydroxy-4,6-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-3,5-bis(hydroxymethyl)phenol
CID 91309963

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol?
The IUPAC name of 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol (CID 23539942) is 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol.
What is the SMILES notation for 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol?
The canonical SMILES for 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol is CC(C)(c1ccc(N(c2ccc(C(C)(C)c3cc(CO)c(O)c(CO)c3)cc2)c2ccc(C(C)(C)c3cc(CO)c(O)c(CO)c3)cc2)cc1)c1cc(CO)c(O)c(CO)c1.
What is the InChIKey of 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol?
The InChIKey is KQRVZGYVNADLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H57NO9/c1-49(2,40-19-31(25-53)46(59)32(20-40)26-54)37-7-13-43(14-8-37)52(44-15-9-38(10-16-44)50(3,4)41-21-33(27-55)47(60)34(22-41)28-56)45-17-11-39(12-18-45)51(5,6)42-23-35(29-57)48(61)36(24-42)30-58/h7-24,53-61H,25-30H2,1-6H3.
What are the key properties of 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol?
4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol has a molecular weight of 828.01 g/mol, XLogP of 8.20, 15 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol is sourced from PubChem (CID 23539942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).