2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane;2-[[7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane

C76H62O12 — CID 157235608

IUPAC2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane;2-[[7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane
SMILESc1cc2ccc(Oc3ccc4ccc(OCC5CC5)c(-c5ccc6ccc(OCC7CO7)cc6c5)c4c3)cc2cc1OCC1CO1.c1cc2ccc(Oc3ccc4ccc(Oc5ccc6ccc(OCC7CO7)cc6c5)cc4c3)cc2cc1OCC1CO1
InChIInChI=1S/C40H34O6.C36H28O6/c1-2-25(1)20-45-39-14-9-28-8-13-35(46-34-12-7-27-6-11-33(17-31(27)18-34)42-22-37-24-44-37)19-38(28)40(39)29-4-3-26-5-10-32(16-30(26)15-29)41-21-36-23-43-36;1-7-29(37-19-35-21-39-35)13-26-15-31(9-3-23(1)26)41-33-11-5-25-6-12-34(18-28(25)17-33)42-32-10-4-24-2-8-30(14-27(24)16-32)38-20-36-22-40-36/h3-19,25,36-37H,1-2,20-24H2;1-18,35-36H,19-22H2
InChIKeyAUPFJCHKWDYPJA-UHFFFAOYSA-N
MW1167.32 g/mol
LogP17.24
Rot. Bonds22

About 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane;2-[[7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane

2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane;2-[[7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane (PubChem CID 157235608) has the molecular formula C76H62O12 and a molecular weight of 1167.32 g/mol. Its IUPAC name is 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane;2-[[7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane;2-[[7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane
PubChem CID157235608
Molecular FormulaC76H62O12
Molecular Weight1167.32 g/mol
Exact Mass1166.42
IUPAC Name2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane;2-[[7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane
SMILESc1cc2ccc(Oc3ccc4ccc(OCC5CC5)c(-c5ccc6ccc(OCC7CO7)cc6c5)c4c3)cc2cc1OCC1CO1.c1cc2ccc(Oc3ccc4ccc(Oc5ccc6ccc(OCC7CO7)cc6c5)cc4c3)cc2cc1OCC1CO1
InChIInChI=1S/C40H34O6.C36H28O6/c1-2-25(1)20-45-39-14-9-28-8-13-35(46-34-12-7-27-6-11-33(17-31(27)18-34)42-22-37-24-44-37)19-38(28)40(39)29-4-3-26-5-10-32(16-30(26)15-29)41-21-36-23-43-36;1-7-29(37-19-35-21-39-35)13-26-15-31(9-3-23(1)26)41-33-11-5-25-6-12-34(18-28(25)17-33)42-32-10-4-24-2-8-30(14-27(24)16-32)38-20-36-22-40-36/h3-19,25,36-37H,1-2,20-24H2;1-18,35-36H,19-22H2
InChIKeyAUPFJCHKWDYPJA-UHFFFAOYSA-N
XLogP17.24
TPSA123.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001167.32
LogP ≤ 517.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane;2-[[7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane 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

2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane
CID 58298855
2-[[7-[(1E)-1-[2-methyl-5-(oxiran-2-ylmethoxy)phenyl]buta-1,3-dien-2-yl]oxy-1-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 135243627
2-[[4-methyl-7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane
CID 163890567
2-[2-[1-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-(cyclopropylmethoxy)naphthalen-2-yl]ethyl]oxirane
CID 155263659
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
2-[[4-[4-(cyclopropylmethoxy)-3-prop-2-enylphenyl]phenoxy]methyl]oxirane
CID 90250128
2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
2-[[2-[[6-(cyclopropylmethoxy)naphthalen-2-yl]oxymethoxy]-5-[[4-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethoxy]-3-(oxiran-2-ylmethyl)phenyl]methyl]phenyl]methyl]oxirane
CID 174090681
(2R)-2-[[5-[[(2R)-oxiran-2-yl]methoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 681871
2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypyrimidine
CID 142978717
2-[[4-[4-[3-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]phenoxy]phenyl]phenoxy]methyl]oxirane
CID 87453140
3-bromo-6-(cyclopropylmethoxy)phenanthrene
CID 86614878

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane;2-[[7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane;2-[[7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane (CID 157235608) is 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane;2-[[7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane;2-[[7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane;2-[[7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane is c1cc2ccc(Oc3ccc4ccc(OCC5CC5)c(-c5ccc6ccc(OCC7CO7)cc6c5)c4c3)cc2cc1OCC1CO1.c1cc2ccc(Oc3ccc4ccc(Oc5ccc6ccc(OCC7CO7)cc6c5)cc4c3)cc2cc1OCC1CO1.
What is the InChIKey of 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane;2-[[7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane?
The InChIKey is AUPFJCHKWDYPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34O6.C36H28O6/c1-2-25(1)20-45-39-14-9-28-8-13-35(46-34-12-7-27-6-11-33(17-31(27)18-34)42-22-37-24-44-37)19-38(28)40(39)29-4-3-26-5-10-32(16-30(26)15-29)41-21-36-23-43-36;1-7-29(37-19-35-21-39-35)13-26-15-31(9-3-23(1)26)41-33-11-5-25-6-12-34(18-28(25)17-33)42-32-10-4-24-2-8-30(14-27(24)16-32)38-20-36-22-40-36/h3-19,25,36-37H,1-2,20-24H2;1-18,35-36H,19-22H2.
What are the key properties of 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane;2-[[7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane?
2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane;2-[[7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane has a molecular weight of 1167.32 g/mol, XLogP of 17.24, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane;2-[[7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 157235608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).