[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl 11-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]undecanoate;[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl dodecanoate;methane

C90H122O12Si3 — CID 158417286

IUPAC[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl 11-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]undecanoate;[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl dodecanoate;methane
SMILESC.C.CCCCCCCCCCCC(=O)OCc1c2c(c3ccccc3c1C)OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)C=C2.COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(COC(=O)CCCCCCCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)c(C)c4ccccc4c3O2)cc1
InChIInChI=1S/C47H66O7Si3.C41H48O5.2CH4/c1-36-41-21-18-19-22-42(41)46-43(32-33-47(52-46,37-24-28-39(49-2)29-25-37)38-26-30-40(50-3)31-27-38)44(36)35-51-45(48)23-17-15-13-11-12-14-16-20-34-56(7,8)54-57(9,10)53-55(4,5)6;1-5-6-7-8-9-10-11-12-13-18-39(42)45-29-38-30(2)35-16-14-15-17-36(35)40-37(38)27-28-41(46-40,31-19-23-33(43-3)24-20-31)32-21-25-34(44-4)26-22-32;;/h18-19,21-22,24-33H,11-17,20,23,34-35H2,1-10H3;14-17,19-28H,5-13,18,29H2,1-4H3;2*1H4
InChIKeyHABAQTHWPLZWIC-UHFFFAOYSA-N
MW1480.21 g/mol
LogP24.60
Rot. Bonds37

About [2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl 11-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]undecanoate;[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl dodecanoate;methane

[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl 11-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]undecanoate;[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl dodecanoate;methane (PubChem CID 158417286) has the molecular formula C90H122O12Si3 and a molecular weight of 1480.21 g/mol. Its IUPAC name is [2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl 11-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]undecanoate;[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl dodecanoate;methane.

Molecular Properties

Compound Name[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl 11-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]undecanoate;[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl dodecanoate;methane
PubChem CID158417286
Molecular FormulaC90H122O12Si3
Molecular Weight1480.21 g/mol
Exact Mass1478.82
IUPAC Name[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl 11-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]undecanoate;[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl dodecanoate;methane
SMILESC.C.CCCCCCCCCCCC(=O)OCc1c2c(c3ccccc3c1C)OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)C=C2.COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(COC(=O)CCCCCCCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)c(C)c4ccccc4c3O2)cc1
InChIInChI=1S/C47H66O7Si3.C41H48O5.2CH4/c1-36-41-21-18-19-22-42(41)46-43(32-33-47(52-46,37-24-28-39(49-2)29-25-37)38-26-30-40(50-3)31-27-38)44(36)35-51-45(48)23-17-15-13-11-12-14-16-20-34-56(7,8)54-57(9,10)53-55(4,5)6;1-5-6-7-8-9-10-11-12-13-18-39(42)45-29-38-30(2)35-16-14-15-17-36(35)40-37(38)27-28-41(46-40,31-19-23-33(43-3)24-20-31)32-21-25-34(44-4)26-22-32;;/h18-19,21-22,24-33H,11-17,20,23,34-35H2,1-10H3;14-17,19-28H,5-13,18,29H2,1-4H3;2*1H4
InChIKeyHABAQTHWPLZWIC-UHFFFAOYSA-N
XLogP24.60
TPSA126.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds37
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001480.21
LogP ≤ 524.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl 11-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]undecanoate;[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl dodecanoate;methane with MolForge

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Related Compounds

4-O-[2-[2,2-bis(4-methoxyphenyl)-6-phenylbenzo[h]chromene-5-carbonyl]oxyethyl] 1-O-[2-[3-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]propoxy]ethyl] butanedioate
CID 58309308
methyl 6-[2-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]acetyl]oxy-2-(4-methylphenyl)-2-phenylbenzo[h]chromene-5-carboxylate
CID 158941285
11,11-bis(4-methoxyphenyl)-4-propyl-3,12-dioxa-5-azatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),4,8(13),9,14,16-heptaen-6-one
CID 22121525
benzyl 11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoate
CID 176610533
methyl 2,2-bis(4-methoxyphenyl)-7-methylbenzo[h]chromene-5-carboxylate
CID 142000328
[2,2-bis(4-methoxyphenyl)-5-phenylsulfanylbenzo[h]chromen-6-yl] acetate
CID 15508794
5,5-bis(4-methoxyphenyl)-6,22-dioxapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-21-one
CID 15451135
2-[[5,5-bis(4-methoxyphenyl)-21-methyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-21-yl]oxy]ethyl carbonochloridate
CID 89282920
ethyl 6-(2-oxoethyl)-2-(4-phenylphenyl)-2-(4-propoxyphenyl)benzo[h]chromene-5-carboxylate
CID 145126589
[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-dimethylsilane
CID 150264689
21,21-diethyl-5-(4-hexylphenyl)-18-isocyano-5-(4-methoxyphenyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene
CID 171403187
5-(4-bromophenyl)-5-(4-methoxyphenyl)-21,21-dipropyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene
CID 169306975

Frequently Asked Questions

What is the IUPAC name of [2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl 11-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]undecanoate;[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl dodecanoate;methane?
The IUPAC name of [2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl 11-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]undecanoate;[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl dodecanoate;methane (CID 158417286) is [2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl 11-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]undecanoate;[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl dodecanoate;methane.
What is the SMILES notation for [2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl 11-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]undecanoate;[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl dodecanoate;methane?
The canonical SMILES for [2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl 11-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]undecanoate;[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl dodecanoate;methane is C.C.CCCCCCCCCCCC(=O)OCc1c2c(c3ccccc3c1C)OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)C=C2.COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(COC(=O)CCCCCCCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)c(C)c4ccccc4c3O2)cc1.
What is the InChIKey of [2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl 11-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]undecanoate;[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl dodecanoate;methane?
The InChIKey is HABAQTHWPLZWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H66O7Si3.C41H48O5.2CH4/c1-36-41-21-18-19-22-42(41)46-43(32-33-47(52-46,37-24-28-39(49-2)29-25-37)38-26-30-40(50-3)31-27-38)44(36)35-51-45(48)23-17-15-13-11-12-14-16-20-34-56(7,8)54-57(9,10)53-55(4,5)6;1-5-6-7-8-9-10-11-12-13-18-39(42)45-29-38-30(2)35-16-14-15-17-36(35)40-37(38)27-28-41(46-40,31-19-23-33(43-3)24-20-31)32-21-25-34(44-4)26-22-32;;/h18-19,21-22,24-33H,11-17,20,23,34-35H2,1-10H3;14-17,19-28H,5-13,18,29H2,1-4H3;2*1H4.
What are the key properties of [2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl 11-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]undecanoate;[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl dodecanoate;methane?
[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl 11-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]undecanoate;[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl dodecanoate;methane has a molecular weight of 1480.21 g/mol, XLogP of 24.60, 37 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl 11-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]undecanoate;[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl dodecanoate;methane is sourced from PubChem (CID 158417286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).