[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methanol;4-[[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methoxy]-4-oxobutanoate;methyl 3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]benzoate;oxolane-2,5-dione;triethylazanium

C144H137NO25 — CID 159666355

IUPAC[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methanol;4-[[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methoxy]-4-oxobutanoate;methyl 3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]benzoate;oxolane-2,5-dione;triethylazanium
SMILESCC[NH+](CC)CC.COC(=O)c1cccc(COc2ccc3c(c2)COc2cc(COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2-3)c1.COc1ccc(C(OCc2ccc3c(c2)OCc2cc(OCc4cccc(CO)c4)ccc2-3)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCc2ccc3c(c2)OCc2cc(OCc4cccc(COC(=O)CCC(=O)[O-])c4)ccc2-3)(c2ccccc2)c2ccc(OC)cc2)cc1.O=C1CCC(=O)O1
InChIInChI=1S/C47H42O9.C44H38O7.C43H38O6.C6H15N.C4H4O3/c1-51-39-16-12-37(13-17-39)47(36-9-4-3-5-10-36,38-14-18-40(52-2)19-15-38)56-30-34-11-21-43-42-22-20-41(27-35(42)31-54-44(43)26-34)53-28-32-7-6-8-33(25-32)29-55-46(50)24-23-45(48)49;1-46-37-17-13-35(14-18-37)44(34-10-5-4-6-11-34,36-15-19-38(47-2)20-16-36)51-28-31-12-22-41-40-23-21-39(26-33(40)29-50-42(41)25-31)49-27-30-8-7-9-32(24-30)43(45)48-3;1-45-37-16-12-35(13-17-37)43(34-9-4-3-5-10-34,36-14-18-38(46-2)19-15-36)49-28-32-11-21-41-40-22-20-39(25-33(40)29-48-42(41)24-32)47-27-31-8-6-7-30(23-31)26-44;1-4-7(5-2)6-3;5-3-1-2-4(6)7-3/h3-22,25-27H,23-24,28-31H2,1-2H3,(H,48,49);4-26H,27-29H2,1-3H3;3-25,44H,26-29H2,1-2H3;4-6H2,1-3H3;1-2H2
InChIKeyMTLKJDCLHDMCQD-UHFFFAOYSA-N
MW2281.66 g/mol
LogP25.69
Rot. Bonds43

About [3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methanol;4-[[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methoxy]-4-oxobutanoate;methyl 3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]benzoate;oxolane-2,5-dione;triethylazanium

[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methanol;4-[[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methoxy]-4-oxobutanoate;methyl 3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]benzoate;oxolane-2,5-dione;triethylazanium (PubChem CID 159666355) has the molecular formula C144H137NO25 and a molecular weight of 2281.66 g/mol. Its IUPAC name is [3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methanol;4-[[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methoxy]-4-oxobutanoate;methyl 3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]benzoate;oxolane-2,5-dione;triethylazanium.

Molecular Properties

Compound Name[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methanol;4-[[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methoxy]-4-oxobutanoate;methyl 3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]benzoate;oxolane-2,5-dione;triethylazanium
PubChem CID159666355
Molecular FormulaC144H137NO25
Molecular Weight2281.66 g/mol
Exact Mass2279.95
IUPAC Name[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methanol;4-[[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methoxy]-4-oxobutanoate;methyl 3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]benzoate;oxolane-2,5-dione;triethylazanium
SMILESCC[NH+](CC)CC.COC(=O)c1cccc(COc2ccc3c(c2)COc2cc(COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2-3)c1.COc1ccc(C(OCc2ccc3c(c2)OCc2cc(OCc4cccc(CO)c4)ccc2-3)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCc2ccc3c(c2)OCc2cc(OCc4cccc(COC(=O)CCC(=O)[O-])c4)ccc2-3)(c2ccccc2)c2ccc(OC)cc2)cc1.O=C1CCC(=O)O1
InChIInChI=1S/C47H42O9.C44H38O7.C43H38O6.C6H15N.C4H4O3/c1-51-39-16-12-37(13-17-39)47(36-9-4-3-5-10-36,38-14-18-40(52-2)19-15-38)56-30-34-11-21-43-42-22-20-41(27-35(42)31-54-44(43)26-34)53-28-32-7-6-8-33(25-32)29-55-46(50)24-23-45(48)49;1-46-37-17-13-35(14-18-37)44(34-10-5-4-6-11-34,36-15-19-38(47-2)20-16-36)51-28-31-12-22-41-40-23-21-39(26-33(40)29-50-42(41)25-31)49-27-30-8-7-9-32(24-30)43(45)48-3;1-45-37-16-12-35(13-17-37)43(34-9-4-3-5-10-34,36-14-18-38(46-2)19-15-36)49-28-32-11-21-41-40-22-20-39(25-33(40)29-48-42(41)24-32)47-27-31-8-6-7-30(23-31)26-44;1-4-7(5-2)6-3;5-3-1-2-4(6)7-3/h3-22,25-27H,23-24,28-31H2,1-2H3,(H,48,49);4-26H,27-29H2,1-3H3;3-25,44H,26-29H2,1-2H3;4-6H2,1-3H3;1-2H2
InChIKeyMTLKJDCLHDMCQD-UHFFFAOYSA-N
XLogP25.69
TPSA299.22 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds43
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002281.66
LogP ≤ 525.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methanol;4-[[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methoxy]-4-oxobutanoate;methyl 3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]benzoate;oxolane-2,5-dione;triethylazanium with MolForge

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Related Compounds

4-[[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methoxy]-4-oxobutanoate
CID 140735034
4-O-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]methyl] 1-O-methyl butanedioate;ethane
CID 144822255
methyl 3-[[3-[[bis(4-methoxycyclohexa-1,3-dien-1-yl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]benzoate
CID 123895061
[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-bromophenyl]methanol;[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-phenylmethoxyphenyl)phenyl]methanol;[3-bromo-5-(hydroxymethyl)phenyl]methanol;deuteriomethane;4-[[3-(deuteriomethyl)-5-(3-phenylmethoxyphenyl)phenyl]methoxy]-4-oxobutanoate;oxolane-2,5-dione;(3-phenylmethoxyphenyl)boronic acid;triethylazanium;tritiomethane;tritiooxymethane
CID 157090409
3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-ol;(3Z)-2,6-dimethylhepta-1,3,5-triene
CID 144823066
[3-[[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methoxymethyl]phenyl]methanol
CID 144823151
methyl 3-(3-phenylpropanoyloxymethyl)benzoate
CID 78759984
methyl 3-[(4-oxo-6-phenylmethoxychromen-3-ylidene)methyl]benzoate
CID 54563585
N-[1-[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(hydroxymethyl)phenyl]-2-oxopyrimidin-4-yl]benzamide
CID 11614411
methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate
CID 175245532
methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate
CID 24813623
methyl 9-(methoxymethoxy)-6H-benzo[c]chromene-3-carboxylate
CID 171048762

Frequently Asked Questions

What is the IUPAC name of [3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methanol;4-[[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methoxy]-4-oxobutanoate;methyl 3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]benzoate;oxolane-2,5-dione;triethylazanium?
The IUPAC name of [3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methanol;4-[[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methoxy]-4-oxobutanoate;methyl 3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]benzoate;oxolane-2,5-dione;triethylazanium (CID 159666355) is [3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methanol;4-[[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methoxy]-4-oxobutanoate;methyl 3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]benzoate;oxolane-2,5-dione;triethylazanium.
What is the SMILES notation for [3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methanol;4-[[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methoxy]-4-oxobutanoate;methyl 3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]benzoate;oxolane-2,5-dione;triethylazanium?
The canonical SMILES for [3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methanol;4-[[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methoxy]-4-oxobutanoate;methyl 3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]benzoate;oxolane-2,5-dione;triethylazanium is CC[NH+](CC)CC.COC(=O)c1cccc(COc2ccc3c(c2)COc2cc(COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2-3)c1.COc1ccc(C(OCc2ccc3c(c2)OCc2cc(OCc4cccc(CO)c4)ccc2-3)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCc2ccc3c(c2)OCc2cc(OCc4cccc(COC(=O)CCC(=O)[O-])c4)ccc2-3)(c2ccccc2)c2ccc(OC)cc2)cc1.O=C1CCC(=O)O1.
What is the InChIKey of [3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methanol;4-[[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methoxy]-4-oxobutanoate;methyl 3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]benzoate;oxolane-2,5-dione;triethylazanium?
The InChIKey is MTLKJDCLHDMCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H42O9.C44H38O7.C43H38O6.C6H15N.C4H4O3/c1-51-39-16-12-37(13-17-39)47(36-9-4-3-5-10-36,38-14-18-40(52-2)19-15-38)56-30-34-11-21-43-42-22-20-41(27-35(42)31-54-44(43)26-34)53-28-32-7-6-8-33(25-32)29-55-46(50)24-23-45(48)49;1-46-37-17-13-35(14-18-37)44(34-10-5-4-6-11-34,36-15-19-38(47-2)20-16-36)51-28-31-12-22-41-40-23-21-39(26-33(40)29-50-42(41)25-31)49-27-30-8-7-9-32(24-30)43(45)48-3;1-45-37-16-12-35(13-17-37)43(34-9-4-3-5-10-34,36-14-18-38(46-2)19-15-36)49-28-32-11-21-41-40-22-20-39(25-33(40)29-48-42(41)24-32)47-27-31-8-6-7-30(23-31)26-44;1-4-7(5-2)6-3;5-3-1-2-4(6)7-3/h3-22,25-27H,23-24,28-31H2,1-2H3,(H,48,49);4-26H,27-29H2,1-3H3;3-25,44H,26-29H2,1-2H3;4-6H2,1-3H3;1-2H2.
What are the key properties of [3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methanol;4-[[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methoxy]-4-oxobutanoate;methyl 3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]benzoate;oxolane-2,5-dione;triethylazanium?
[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methanol;4-[[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methoxy]-4-oxobutanoate;methyl 3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]benzoate;oxolane-2,5-dione;triethylazanium has a molecular weight of 2281.66 g/mol, XLogP of 25.69, 43 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methanol;4-[[3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]phenyl]methoxy]-4-oxobutanoate;methyl 3-[[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6H-benzo[c]chromen-8-yl]oxymethyl]benzoate;oxolane-2,5-dione;triethylazanium is sourced from PubChem (CID 159666355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).