4-[2-[4-[2-amino-3-[4-[2-[4-[2-amino-3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenol

C51H58N2O6 — CID 67477262

IUPAC4-[2-[4-[2-amino-3-[4-[2-[4-[2-amino-3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(OCC(N)COc2ccc(C(C)(C)c3ccc(OCC(N)COc4ccc(C(C)(C)c5ccc(O)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C51H58N2O6/c1-49(2,35-7-19-43(54)20-8-35)37-11-23-45(24-12-37)56-31-41(52)33-58-47-27-15-39(16-28-47)51(5,6)40-17-29-48(30-18-40)59-34-42(53)32-57-46-25-13-38(14-26-46)50(3,4)36-9-21-44(55)22-10-36/h7-30,41-42,54-55H,31-34,52-53H2,1-6H3
InChIKeyHQUXWZWSLCFRLQ-UHFFFAOYSA-N
MW795.03 g/mol
LogP9.65
Rot. Bonds18

About 4-[2-[4-[2-amino-3-[4-[2-[4-[2-amino-3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenol

4-[2-[4-[2-amino-3-[4-[2-[4-[2-amino-3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenol (PubChem CID 67477262) has the molecular formula C51H58N2O6 and a molecular weight of 795.03 g/mol. Its IUPAC name is 4-[2-[4-[2-amino-3-[4-[2-[4-[2-amino-3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-[2-amino-3-[4-[2-[4-[2-amino-3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenol
PubChem CID67477262
Molecular FormulaC51H58N2O6
Molecular Weight795.03 g/mol
Exact Mass794.43
IUPAC Name4-[2-[4-[2-amino-3-[4-[2-[4-[2-amino-3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(OCC(N)COc2ccc(C(C)(C)c3ccc(OCC(N)COc4ccc(C(C)(C)c5ccc(O)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C51H58N2O6/c1-49(2,35-7-19-43(54)20-8-35)37-11-23-45(24-12-37)56-31-41(52)33-58-47-27-15-39(16-28-47)51(5,6)40-17-29-48(30-18-40)59-34-42(53)32-57-46-25-13-38(14-26-46)50(3,4)36-9-21-44(55)22-10-36/h7-30,41-42,54-55H,31-34,52-53H2,1-6H3
InChIKeyHQUXWZWSLCFRLQ-UHFFFAOYSA-N
XLogP9.65
TPSA129.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.03
LogP ≤ 59.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[2-[4-[2-amino-3-[4-[2-[4-[2-amino-3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenol with MolForge

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Related Compounds

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Phenol,4-[1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-
CID 130621
(E)-N,N-Didesmethyl-4-hydroxy Tamoxifen
CID 60202715
(E/Z)-N,N-Didesmethyl-4-hydroxy Tamoxifen
CID 70354859
4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylethenyl]phenol
CID 118735366
4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylpent-1-enyl]phenol
CID 118735369
4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol;4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol
CID 52946636
4'-Hydroxynorendoxifen
CID 73386689
4-[3-[4-[2-(Dimethylamino)ethoxy]phenyl]-1-adamantyl]phenol
CID 90644320
4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-(4-fluorophenyl)but-1-enyl]phenol
CID 118735362

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-amino-3-[4-[2-[4-[2-amino-3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenol?
The IUPAC name of 4-[2-[4-[2-amino-3-[4-[2-[4-[2-amino-3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenol (CID 67477262) is 4-[2-[4-[2-amino-3-[4-[2-[4-[2-amino-3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenol.
What is the SMILES notation for 4-[2-[4-[2-amino-3-[4-[2-[4-[2-amino-3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenol?
The canonical SMILES for 4-[2-[4-[2-amino-3-[4-[2-[4-[2-amino-3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(OCC(N)COc2ccc(C(C)(C)c3ccc(OCC(N)COc4ccc(C(C)(C)c5ccc(O)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[2-[4-[2-amino-3-[4-[2-[4-[2-amino-3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenol?
The InChIKey is HQUXWZWSLCFRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H58N2O6/c1-49(2,35-7-19-43(54)20-8-35)37-11-23-45(24-12-37)56-31-41(52)33-58-47-27-15-39(16-28-47)51(5,6)40-17-29-48(30-18-40)59-34-42(53)32-57-46-25-13-38(14-26-46)50(3,4)36-9-21-44(55)22-10-36/h7-30,41-42,54-55H,31-34,52-53H2,1-6H3.
What are the key properties of 4-[2-[4-[2-amino-3-[4-[2-[4-[2-amino-3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenol?
4-[2-[4-[2-amino-3-[4-[2-[4-[2-amino-3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenol has a molecular weight of 795.03 g/mol, XLogP of 9.65, 18 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-amino-3-[4-[2-[4-[2-amino-3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenol is sourced from PubChem (CID 67477262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).