2-[4-[2-[4-[2-[2-[4-[2-[4-(2-hydroxyethoxy)-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethoxymethoxy]ethoxy]-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethanol

C79H72O8 — CID 167508101

IUPAC2-[4-[2-[4-[2-[2-[4-[2-[4-(2-hydroxyethoxy)-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethoxymethoxy]ethoxy]-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethanol
SMILESCC(C)(c1ccc(OCCO)c(-c2ccc3ccccc3c2)c1)c1ccc(OCCOCOCCOc2ccc(C(C)(C)c3ccc(OCCO)c(-c4ccc5ccccc5c4)c3)cc2-c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C79H72O8/c1-78(2,66-29-33-74(84-39-37-80)70(49-66)62-25-21-54-13-5-9-17-58(54)45-62)68-31-35-76(72(51-68)64-27-23-56-15-7-11-19-60(56)47-64)86-43-41-82-53-83-42-44-87-77-36-32-69(52-73(77)65-28-24-57-16-8-12-20-61(57)48-65)79(3,4)67-30-34-75(85-40-38-81)71(50-67)63-26-22-55-14-6-10-18-59(55)46-63/h5-36,45-52,80-81H,37-44,53H2,1-4H3
InChIKeyCVOIVZADIUHFHN-UHFFFAOYSA-N
MW1149.44 g/mol
LogP17.81
Rot. Bonds24

About 2-[4-[2-[4-[2-[2-[4-[2-[4-(2-hydroxyethoxy)-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethoxymethoxy]ethoxy]-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethanol

2-[4-[2-[4-[2-[2-[4-[2-[4-(2-hydroxyethoxy)-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethoxymethoxy]ethoxy]-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethanol (PubChem CID 167508101) has the molecular formula C79H72O8 and a molecular weight of 1149.44 g/mol. Its IUPAC name is 2-[4-[2-[4-[2-[2-[4-[2-[4-(2-hydroxyethoxy)-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethoxymethoxy]ethoxy]-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[2-[4-[2-[2-[4-[2-[4-(2-hydroxyethoxy)-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethoxymethoxy]ethoxy]-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethanol
PubChem CID167508101
Molecular FormulaC79H72O8
Molecular Weight1149.44 g/mol
Exact Mass1148.52
IUPAC Name2-[4-[2-[4-[2-[2-[4-[2-[4-(2-hydroxyethoxy)-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethoxymethoxy]ethoxy]-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethanol
SMILESCC(C)(c1ccc(OCCO)c(-c2ccc3ccccc3c2)c1)c1ccc(OCCOCOCCOc2ccc(C(C)(C)c3ccc(OCCO)c(-c4ccc5ccccc5c4)c3)cc2-c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C79H72O8/c1-78(2,66-29-33-74(84-39-37-80)70(49-66)62-25-21-54-13-5-9-17-58(54)45-62)68-31-35-76(72(51-68)64-27-23-56-15-7-11-19-60(56)47-64)86-43-41-82-53-83-42-44-87-77-36-32-69(52-73(77)65-28-24-57-16-8-12-20-61(57)48-65)79(3,4)67-30-34-75(85-40-38-81)71(50-67)63-26-22-55-14-6-10-18-59(55)46-63/h5-36,45-52,80-81H,37-44,53H2,1-4H3
InChIKeyCVOIVZADIUHFHN-UHFFFAOYSA-N
XLogP17.81
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001149.44
LogP ≤ 517.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[4-[2-[4-[2-[2-[4-[2-[4-(2-hydroxyethoxy)-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethoxymethoxy]ethoxy]-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethanol with MolForge

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Related Compounds

2-[4-[2-[4-(2-hydroxyethoxy)-3-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]-2-(3-naphthalen-1-ylphenyl)phenoxy]ethanol
CID 176584477
3-[4-(2-hydroxyethoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol
CID 170219538
3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol
CID 169075770
2-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-phenylphenyl]propan-2-yl]-2-phenylphenoxy]ethyl 2-methylprop-2-enoate
CID 18755717
2-[2-[2-(2-hydroxyethoxy)ethoxy]-5-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenyl]ethanol
CID 19034540
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenyl]ethoxy]ethanol
CID 142633632
2-[2-dibenzofuran-2-yl-4-[1-[3-dibenzofuran-2-yl-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol
CID 176584558
6-[4-(6-hydroxyhexoxy)-2,5-bis(3-naphthalen-2-ylphenyl)phenoxy]hexan-1-ol
CID 169075760
2-[2-[4-[2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 15607829
1-methyl-4-[2-(4-pentoxy-3-phenylphenyl)propan-2-yl]-2-phenylbenzene
CID 121399626
2-[1-[2-(2-hydroxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethanol;2-[1-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethanol
CID 163740877
2-[1-[2-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]propan-2-yl]-6-phenylnaphthalen-2-yl]oxyethanol
CID 175765558

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[2-[2-[4-[2-[4-(2-hydroxyethoxy)-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethoxymethoxy]ethoxy]-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethanol?
The IUPAC name of 2-[4-[2-[4-[2-[2-[4-[2-[4-(2-hydroxyethoxy)-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethoxymethoxy]ethoxy]-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethanol (CID 167508101) is 2-[4-[2-[4-[2-[2-[4-[2-[4-(2-hydroxyethoxy)-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethoxymethoxy]ethoxy]-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethanol.
What is the SMILES notation for 2-[4-[2-[4-[2-[2-[4-[2-[4-(2-hydroxyethoxy)-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethoxymethoxy]ethoxy]-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethanol?
The canonical SMILES for 2-[4-[2-[4-[2-[2-[4-[2-[4-(2-hydroxyethoxy)-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethoxymethoxy]ethoxy]-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethanol is CC(C)(c1ccc(OCCO)c(-c2ccc3ccccc3c2)c1)c1ccc(OCCOCOCCOc2ccc(C(C)(C)c3ccc(OCCO)c(-c4ccc5ccccc5c4)c3)cc2-c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-[4-[2-[4-[2-[2-[4-[2-[4-(2-hydroxyethoxy)-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethoxymethoxy]ethoxy]-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethanol?
The InChIKey is CVOIVZADIUHFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H72O8/c1-78(2,66-29-33-74(84-39-37-80)70(49-66)62-25-21-54-13-5-9-17-58(54)45-62)68-31-35-76(72(51-68)64-27-23-56-15-7-11-19-60(56)47-64)86-43-41-82-53-83-42-44-87-77-36-32-69(52-73(77)65-28-24-57-16-8-12-20-61(57)48-65)79(3,4)67-30-34-75(85-40-38-81)71(50-67)63-26-22-55-14-6-10-18-59(55)46-63/h5-36,45-52,80-81H,37-44,53H2,1-4H3.
What are the key properties of 2-[4-[2-[4-[2-[2-[4-[2-[4-(2-hydroxyethoxy)-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethoxymethoxy]ethoxy]-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethanol?
2-[4-[2-[4-[2-[2-[4-[2-[4-(2-hydroxyethoxy)-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethoxymethoxy]ethoxy]-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethanol has a molecular weight of 1149.44 g/mol, XLogP of 17.81, 24 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[2-[2-[4-[2-[4-(2-hydroxyethoxy)-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethoxymethoxy]ethoxy]-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethanol is sourced from PubChem (CID 167508101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).