methyl 4-[6-dibenzothiophen-4-yl-1-[6-dibenzothiophen-4-yl-2-(4-methoxycarbonylnaphthalen-1-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxynaphthalene-1-carboxylate

C68H42O6S2 — CID 171488663

IUPACmethyl 4-[6-dibenzothiophen-4-yl-1-[6-dibenzothiophen-4-yl-2-(4-methoxycarbonylnaphthalen-1-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxynaphthalene-1-carboxylate
SMILESCOC(=O)c1ccc(Oc2ccc3cc(-c4cccc5c4sc4ccccc45)ccc3c2-c2c(Oc3ccc(C(=O)OC)c4ccccc34)ccc3cc(-c4cccc5c4sc4ccccc45)ccc23)c2ccccc12
InChIInChI=1S/C68H42O6S2/c1-71-67(69)55-31-35-57(49-15-5-3-13-47(49)55)73-59-33-27-39-37-41(45-19-11-21-53-51-17-7-9-23-61(51)75-65(45)53)25-29-43(39)63(59)64-44-30-26-42(46-20-12-22-54-52-18-8-10-24-62(52)76-66(46)54)38-40(44)28-34-60(64)74-58-36-32-56(68(70)72-2)48-14-4-6-16-50(48)58/h3-38H,1-2H3
InChIKeyGAFMXEVGETXJGQ-UHFFFAOYSA-N
MW1019.21 g/mol
LogP19.19
Rot. Bonds9

About methyl 4-[6-dibenzothiophen-4-yl-1-[6-dibenzothiophen-4-yl-2-(4-methoxycarbonylnaphthalen-1-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxynaphthalene-1-carboxylate

methyl 4-[6-dibenzothiophen-4-yl-1-[6-dibenzothiophen-4-yl-2-(4-methoxycarbonylnaphthalen-1-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxynaphthalene-1-carboxylate (PubChem CID 171488663) has the molecular formula C68H42O6S2 and a molecular weight of 1019.21 g/mol. Its IUPAC name is methyl 4-[6-dibenzothiophen-4-yl-1-[6-dibenzothiophen-4-yl-2-(4-methoxycarbonylnaphthalen-1-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxynaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[6-dibenzothiophen-4-yl-1-[6-dibenzothiophen-4-yl-2-(4-methoxycarbonylnaphthalen-1-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxynaphthalene-1-carboxylate
PubChem CID171488663
Molecular FormulaC68H42O6S2
Molecular Weight1019.21 g/mol
Exact Mass1018.24
IUPAC Namemethyl 4-[6-dibenzothiophen-4-yl-1-[6-dibenzothiophen-4-yl-2-(4-methoxycarbonylnaphthalen-1-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxynaphthalene-1-carboxylate
SMILESCOC(=O)c1ccc(Oc2ccc3cc(-c4cccc5c4sc4ccccc45)ccc3c2-c2c(Oc3ccc(C(=O)OC)c4ccccc34)ccc3cc(-c4cccc5c4sc4ccccc45)ccc23)c2ccccc12
InChIInChI=1S/C68H42O6S2/c1-71-67(69)55-31-35-57(49-15-5-3-13-47(49)55)73-59-33-27-39-37-41(45-19-11-21-53-51-17-7-9-23-61(51)75-65(45)53)25-29-43(39)63(59)64-44-30-26-42(46-20-12-22-54-52-18-8-10-24-62(52)76-66(46)54)38-40(44)28-34-60(64)74-58-36-32-56(68(70)72-2)48-14-4-6-16-50(48)58/h3-38H,1-2H3
InChIKeyGAFMXEVGETXJGQ-UHFFFAOYSA-N
XLogP19.19
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.21
LogP ≤ 519.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 4-[6-dibenzothiophen-4-yl-1-[6-dibenzothiophen-4-yl-2-(4-methoxycarbonylnaphthalen-1-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxynaphthalene-1-carboxylate with MolForge

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Related Compounds

(3-dibenzothiophen-4-yloxy-4-methoxycarbonylphenyl)chloranium
CID 144964173
4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene
CID 58536121
methyl 1-dibenzothiophen-2-ylnaphthalene-2-carboxylate
CID 141476210
4-(4-methoxyphenyl)dibenzothiophene
CID 138456987
4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene
CID 174273152
3-[5-[6-(3-cyanophenyl)-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]benzonitrile;4-[5-[6-dibenzofuran-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzofuran;4-[5-[6-dibenzothiophen-4-yl-2-(2-methoxyethoxy)naphthalen-1-yl]-6-(2-methoxyethoxy)naphthalen-2-yl]dibenzothiophene
CID 165088120
4,8-bis(3-dibenzothiophen-4-ylphenyl)benzo[h]quinazoline
CID 155793761
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155481014
methyl 3-dibenzothiophen-4-yl-1H-indole-2-carboxylate
CID 25022416
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169294012
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385

Frequently Asked Questions

What is the IUPAC name of methyl 4-[6-dibenzothiophen-4-yl-1-[6-dibenzothiophen-4-yl-2-(4-methoxycarbonylnaphthalen-1-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxynaphthalene-1-carboxylate?
The IUPAC name of methyl 4-[6-dibenzothiophen-4-yl-1-[6-dibenzothiophen-4-yl-2-(4-methoxycarbonylnaphthalen-1-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxynaphthalene-1-carboxylate (CID 171488663) is methyl 4-[6-dibenzothiophen-4-yl-1-[6-dibenzothiophen-4-yl-2-(4-methoxycarbonylnaphthalen-1-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxynaphthalene-1-carboxylate.
What is the SMILES notation for methyl 4-[6-dibenzothiophen-4-yl-1-[6-dibenzothiophen-4-yl-2-(4-methoxycarbonylnaphthalen-1-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxynaphthalene-1-carboxylate?
The canonical SMILES for methyl 4-[6-dibenzothiophen-4-yl-1-[6-dibenzothiophen-4-yl-2-(4-methoxycarbonylnaphthalen-1-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxynaphthalene-1-carboxylate is COC(=O)c1ccc(Oc2ccc3cc(-c4cccc5c4sc4ccccc45)ccc3c2-c2c(Oc3ccc(C(=O)OC)c4ccccc34)ccc3cc(-c4cccc5c4sc4ccccc45)ccc23)c2ccccc12.
What is the InChIKey of methyl 4-[6-dibenzothiophen-4-yl-1-[6-dibenzothiophen-4-yl-2-(4-methoxycarbonylnaphthalen-1-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxynaphthalene-1-carboxylate?
The InChIKey is GAFMXEVGETXJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42O6S2/c1-71-67(69)55-31-35-57(49-15-5-3-13-47(49)55)73-59-33-27-39-37-41(45-19-11-21-53-51-17-7-9-23-61(51)75-65(45)53)25-29-43(39)63(59)64-44-30-26-42(46-20-12-22-54-52-18-8-10-24-62(52)76-66(46)54)38-40(44)28-34-60(64)74-58-36-32-56(68(70)72-2)48-14-4-6-16-50(48)58/h3-38H,1-2H3.
What are the key properties of methyl 4-[6-dibenzothiophen-4-yl-1-[6-dibenzothiophen-4-yl-2-(4-methoxycarbonylnaphthalen-1-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxynaphthalene-1-carboxylate?
methyl 4-[6-dibenzothiophen-4-yl-1-[6-dibenzothiophen-4-yl-2-(4-methoxycarbonylnaphthalen-1-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxynaphthalene-1-carboxylate has a molecular weight of 1019.21 g/mol, XLogP of 19.19, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[6-dibenzothiophen-4-yl-1-[6-dibenzothiophen-4-yl-2-(4-methoxycarbonylnaphthalen-1-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxynaphthalene-1-carboxylate is sourced from PubChem (CID 171488663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).