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

C52H62O11Si2 — CID 58309308

IUPAC4-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
SMILESCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CCC(=O)OCCOC(=O)c1c2c(c3ccccc3c1-c1ccccc1)OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)C=C2
InChIInChI=1S/C52H62O11Si2/c1-8-36-64(4,5)63-65(6,7)37-14-31-58-32-33-59-46(53)27-28-47(54)60-34-35-61-51(55)49-45-29-30-52(39-19-23-41(56-2)24-20-39,40-21-25-42(57-3)26-22-40)62-50(45)44-18-13-12-17-43(44)48(49)38-15-10-9-11-16-38/h9-13,15-26,29-30H,8,14,27-28,31-37H2,1-7H3
InChIKeyJIGWKNSKOYRFSJ-UHFFFAOYSA-N
MW919.23 g/mol
LogP11.14
Rot. Bonds23

About 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

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 (PubChem CID 58309308) has the molecular formula C52H62O11Si2 and a molecular weight of 919.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID58309308
Molecular FormulaC52H62O11Si2
Molecular Weight919.23 g/mol
Exact Mass918.38
IUPAC Name4-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
SMILESCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CCC(=O)OCCOC(=O)c1c2c(c3ccccc3c1-c1ccccc1)OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)C=C2
InChIInChI=1S/C52H62O11Si2/c1-8-36-64(4,5)63-65(6,7)37-14-31-58-32-33-59-46(53)27-28-47(54)60-34-35-61-51(55)49-45-29-30-52(39-19-23-41(56-2)24-20-39,40-21-25-42(57-3)26-22-40)62-50(45)44-18-13-12-17-43(44)48(49)38-15-10-9-11-16-38/h9-13,15-26,29-30H,8,14,27-28,31-37H2,1-7H3
InChIKeyJIGWKNSKOYRFSJ-UHFFFAOYSA-N
XLogP11.14
TPSA125.05 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500919.23
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CCC(=O)OCCOC(=O)c1c2c(c3ccccc3c1-c1ccccc1)OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)C=C2.
What is the InChIKey of 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?
The InChIKey is JIGWKNSKOYRFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H62O11Si2/c1-8-36-64(4,5)63-65(6,7)37-14-31-58-32-33-59-46(53)27-28-47(54)60-34-35-61-51(55)49-45-29-30-52(39-19-23-41(56-2)24-20-39,40-21-25-42(57-3)26-22-40)62-50(45)44-18-13-12-17-43(44)48(49)38-15-10-9-11-16-38/h9-13,15-26,29-30H,8,14,27-28,31-37H2,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 919.23 g/mol, XLogP of 11.14, 23 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58309308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).