2-[1-[[3-[5-[[4-[2-(diethylamino)ethoxy]-3-[4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(2-hydroxyethoxy)naphthalen-1-yl]phenyl]methyl]-6-(2-hydroxyethoxy)naphthalen-1-yl]-4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxyethanol

C75H89N3O9 — CID 123413741

IUPAC2-[1-[[3-[5-[[4-[2-(diethylamino)ethoxy]-3-[4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(2-hydroxyethoxy)naphthalen-1-yl]phenyl]methyl]-6-(2-hydroxyethoxy)naphthalen-1-yl]-4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxyethanol
SMILESCCCN(CCC)CCOc1ccc(Cc2c(OCCO)ccc3ccccc23)cc1-c1cccc2c(Cc3ccc(OCCN(CC)CC)c(-c4cc(OCCO)c(Cc5ccc(OCCN(C)C)cc5)c5ccccc45)c3)c(OCCO)ccc12
InChIInChI=1S/C75H89N3O9/c1-7-34-78(35-8-2)38-44-84-71-30-24-55(49-66-59-17-12-11-16-57(59)26-32-73(66)85-45-39-79)50-67(71)62-20-15-21-63-64(62)29-33-74(86-46-40-80)68(63)51-56-25-31-72(83-43-37-77(9-3)10-4)70(52-56)65-53-75(87-47-41-81)69(61-19-14-13-18-60(61)65)48-54-22-27-58(28-23-54)82-42-36-76(5)6/h11-33,50,52-53,79-81H,7-10,34-49,51H2,1-6H3
InChIKeyKFFPBFGPABKCHE-UHFFFAOYSA-N
MW1176.55 g/mol
LogP13.53
Rot. Bonds35

About 2-[1-[[3-[5-[[4-[2-(diethylamino)ethoxy]-3-[4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(2-hydroxyethoxy)naphthalen-1-yl]phenyl]methyl]-6-(2-hydroxyethoxy)naphthalen-1-yl]-4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxyethanol

2-[1-[[3-[5-[[4-[2-(diethylamino)ethoxy]-3-[4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(2-hydroxyethoxy)naphthalen-1-yl]phenyl]methyl]-6-(2-hydroxyethoxy)naphthalen-1-yl]-4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxyethanol (PubChem CID 123413741) has the molecular formula C75H89N3O9 and a molecular weight of 1176.55 g/mol. Its IUPAC name is 2-[1-[[3-[5-[[4-[2-(diethylamino)ethoxy]-3-[4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(2-hydroxyethoxy)naphthalen-1-yl]phenyl]methyl]-6-(2-hydroxyethoxy)naphthalen-1-yl]-4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[[3-[5-[[4-[2-(diethylamino)ethoxy]-3-[4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(2-hydroxyethoxy)naphthalen-1-yl]phenyl]methyl]-6-(2-hydroxyethoxy)naphthalen-1-yl]-4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxyethanol
PubChem CID123413741
Molecular FormulaC75H89N3O9
Molecular Weight1176.55 g/mol
Exact Mass1175.66
IUPAC Name2-[1-[[3-[5-[[4-[2-(diethylamino)ethoxy]-3-[4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(2-hydroxyethoxy)naphthalen-1-yl]phenyl]methyl]-6-(2-hydroxyethoxy)naphthalen-1-yl]-4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxyethanol
SMILESCCCN(CCC)CCOc1ccc(Cc2c(OCCO)ccc3ccccc23)cc1-c1cccc2c(Cc3ccc(OCCN(CC)CC)c(-c4cc(OCCO)c(Cc5ccc(OCCN(C)C)cc5)c5ccccc45)c3)c(OCCO)ccc12
InChIInChI=1S/C75H89N3O9/c1-7-34-78(35-8-2)38-44-84-71-30-24-55(49-66-59-17-12-11-16-57(59)26-32-73(66)85-45-39-79)50-67(71)62-20-15-21-63-64(62)29-33-74(86-46-40-80)68(63)51-56-25-31-72(83-43-37-77(9-3)10-4)70(52-56)65-53-75(87-47-41-81)69(61-19-14-13-18-60(61)65)48-54-22-27-58(28-23-54)82-42-36-76(5)6/h11-33,50,52-53,79-81H,7-10,34-49,51H2,1-6H3
InChIKeyKFFPBFGPABKCHE-UHFFFAOYSA-N
XLogP13.53
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds35
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001176.55
LogP ≤ 513.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-[1-[[3-[5-[[4-[2-(diethylamino)ethoxy]-3-[4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(2-hydroxyethoxy)naphthalen-1-yl]phenyl]methyl]-6-(2-hydroxyethoxy)naphthalen-1-yl]-4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxyethanol with MolForge

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Related Compounds

1-[1-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxypropan-2-ol
CID 57388173
5-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-6-(3-hydroxypropoxy)naphthalen-2-ol
CID 57388462
2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol
CID 57388624
5-[[4-[2-(dibutylamino)ethoxy]phenyl]methyl]-6-(4-hydroxyphenyl)naphthalen-2-ol;hydrochloride
CID 18675943
2-[1-(ethylaminomethyl)naphthalen-2-yl]oxy-N,N-dimethylethanamine
CID 39290120
N-[(2-butoxynaphthalen-1-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 54849521
3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-1-ylphenoxy]propan-1-ol
CID 169075773
2-[4-[2-(dimethylamino)ethoxy]phenyl]ethanol
CID 83390498
N-ethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 55074636
3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol;hydrochloride
CID 22458863
N,N-dimethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine
CID 71734010
1-benzyl-2-ethoxynaphthalene
CID 12064074

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-[5-[[4-[2-(diethylamino)ethoxy]-3-[4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(2-hydroxyethoxy)naphthalen-1-yl]phenyl]methyl]-6-(2-hydroxyethoxy)naphthalen-1-yl]-4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxyethanol?
The IUPAC name of 2-[1-[[3-[5-[[4-[2-(diethylamino)ethoxy]-3-[4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(2-hydroxyethoxy)naphthalen-1-yl]phenyl]methyl]-6-(2-hydroxyethoxy)naphthalen-1-yl]-4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxyethanol (CID 123413741) is 2-[1-[[3-[5-[[4-[2-(diethylamino)ethoxy]-3-[4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(2-hydroxyethoxy)naphthalen-1-yl]phenyl]methyl]-6-(2-hydroxyethoxy)naphthalen-1-yl]-4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxyethanol.
What is the SMILES notation for 2-[1-[[3-[5-[[4-[2-(diethylamino)ethoxy]-3-[4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(2-hydroxyethoxy)naphthalen-1-yl]phenyl]methyl]-6-(2-hydroxyethoxy)naphthalen-1-yl]-4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxyethanol?
The canonical SMILES for 2-[1-[[3-[5-[[4-[2-(diethylamino)ethoxy]-3-[4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(2-hydroxyethoxy)naphthalen-1-yl]phenyl]methyl]-6-(2-hydroxyethoxy)naphthalen-1-yl]-4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxyethanol is CCCN(CCC)CCOc1ccc(Cc2c(OCCO)ccc3ccccc23)cc1-c1cccc2c(Cc3ccc(OCCN(CC)CC)c(-c4cc(OCCO)c(Cc5ccc(OCCN(C)C)cc5)c5ccccc45)c3)c(OCCO)ccc12.
What is the InChIKey of 2-[1-[[3-[5-[[4-[2-(diethylamino)ethoxy]-3-[4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(2-hydroxyethoxy)naphthalen-1-yl]phenyl]methyl]-6-(2-hydroxyethoxy)naphthalen-1-yl]-4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxyethanol?
The InChIKey is KFFPBFGPABKCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H89N3O9/c1-7-34-78(35-8-2)38-44-84-71-30-24-55(49-66-59-17-12-11-16-57(59)26-32-73(66)85-45-39-79)50-67(71)62-20-15-21-63-64(62)29-33-74(86-46-40-80)68(63)51-56-25-31-72(83-43-37-77(9-3)10-4)70(52-56)65-53-75(87-47-41-81)69(61-19-14-13-18-60(61)65)48-54-22-27-58(28-23-54)82-42-36-76(5)6/h11-33,50,52-53,79-81H,7-10,34-49,51H2,1-6H3.
What are the key properties of 2-[1-[[3-[5-[[4-[2-(diethylamino)ethoxy]-3-[4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(2-hydroxyethoxy)naphthalen-1-yl]phenyl]methyl]-6-(2-hydroxyethoxy)naphthalen-1-yl]-4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxyethanol?
2-[1-[[3-[5-[[4-[2-(diethylamino)ethoxy]-3-[4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(2-hydroxyethoxy)naphthalen-1-yl]phenyl]methyl]-6-(2-hydroxyethoxy)naphthalen-1-yl]-4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxyethanol has a molecular weight of 1176.55 g/mol, XLogP of 13.53, 35 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-[5-[[4-[2-(diethylamino)ethoxy]-3-[4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(2-hydroxyethoxy)naphthalen-1-yl]phenyl]methyl]-6-(2-hydroxyethoxy)naphthalen-1-yl]-4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxyethanol is sourced from PubChem (CID 123413741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).