10,10-dimethyl-7-(4-methylnaphthalen-1-yl)-17-naphthalen-1-yl-14,21-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-14,21-diol

C55H42O2Si — CID 91590613

IUPAC10,10-dimethyl-7-(4-methylnaphthalen-1-yl)-17-naphthalen-1-yl-14,21-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-14,21-diol
SMILESCc1ccc(-c2ccc3c(c2)[Si](C)(C)c2cc4c(cc2-3)C(O)(c2ccccc2)c2ccc(-c3cccc5ccccc35)cc2C4(O)c2ccccc2)c2ccccc12
InChIInChI=1S/C55H42O2Si/c1-35-25-28-44(45-23-13-12-21-41(35)45)38-26-29-46-47-33-50-51(34-53(47)58(2,3)52(46)32-38)55(57,40-19-8-5-9-20-40)49-31-37(43-24-14-16-36-15-10-11-22-42(36)43)27-30-48(49)54(50,56)39-17-6-4-7-18-39/h4-34,56-57H,1-3H3
InChIKeyBBVFBBJYMPNNOM-UHFFFAOYSA-N
MW763.03 g/mol
LogP11.32
Rot. Bonds4

About 10,10-dimethyl-7-(4-methylnaphthalen-1-yl)-17-naphthalen-1-yl-14,21-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-14,21-diol

10,10-dimethyl-7-(4-methylnaphthalen-1-yl)-17-naphthalen-1-yl-14,21-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-14,21-diol (PubChem CID 91590613) has the molecular formula C55H42O2Si and a molecular weight of 763.03 g/mol. Its IUPAC name is 10,10-dimethyl-7-(4-methylnaphthalen-1-yl)-17-naphthalen-1-yl-14,21-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-14,21-diol.

Molecular Properties

Compound Name10,10-dimethyl-7-(4-methylnaphthalen-1-yl)-17-naphthalen-1-yl-14,21-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-14,21-diol
PubChem CID91590613
Molecular FormulaC55H42O2Si
Molecular Weight763.03 g/mol
Exact Mass762.30
IUPAC Name10,10-dimethyl-7-(4-methylnaphthalen-1-yl)-17-naphthalen-1-yl-14,21-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-14,21-diol
SMILESCc1ccc(-c2ccc3c(c2)[Si](C)(C)c2cc4c(cc2-3)C(O)(c2ccccc2)c2ccc(-c3cccc5ccccc35)cc2C4(O)c2ccccc2)c2ccccc12
InChIInChI=1S/C55H42O2Si/c1-35-25-28-44(45-23-13-12-21-41(35)45)38-26-29-46-47-33-50-51(34-53(47)58(2,3)52(46)32-38)55(57,40-19-8-5-9-20-40)49-31-37(43-24-14-16-36-15-10-11-22-42(36)43)27-30-48(49)54(50,56)39-17-6-4-7-18-39/h4-34,56-57H,1-3H3
InChIKeyBBVFBBJYMPNNOM-UHFFFAOYSA-N
XLogP11.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.03
LogP ≤ 511.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10,10-dimethyl-7-(4-methylnaphthalen-1-yl)-17-naphthalen-1-yl-14,21-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-14,21-diol with MolForge

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Related Compounds

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14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-1-yl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
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2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
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CID 145377660
10,10-dimethyl-21-naphthalen-1-yl-7,14,17-triphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
CID 173480620
1,9,9-trimethyl-7-naphthalen-1-ylfluorene
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10,10-dimethyl-14-naphthalen-1-yl-21-phenanthren-9-yl-7-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 91257294

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-7-(4-methylnaphthalen-1-yl)-17-naphthalen-1-yl-14,21-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-14,21-diol?
The IUPAC name of 10,10-dimethyl-7-(4-methylnaphthalen-1-yl)-17-naphthalen-1-yl-14,21-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-14,21-diol (CID 91590613) is 10,10-dimethyl-7-(4-methylnaphthalen-1-yl)-17-naphthalen-1-yl-14,21-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-14,21-diol.
What is the SMILES notation for 10,10-dimethyl-7-(4-methylnaphthalen-1-yl)-17-naphthalen-1-yl-14,21-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-14,21-diol?
The canonical SMILES for 10,10-dimethyl-7-(4-methylnaphthalen-1-yl)-17-naphthalen-1-yl-14,21-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-14,21-diol is Cc1ccc(-c2ccc3c(c2)[Si](C)(C)c2cc4c(cc2-3)C(O)(c2ccccc2)c2ccc(-c3cccc5ccccc35)cc2C4(O)c2ccccc2)c2ccccc12.
What is the InChIKey of 10,10-dimethyl-7-(4-methylnaphthalen-1-yl)-17-naphthalen-1-yl-14,21-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-14,21-diol?
The InChIKey is BBVFBBJYMPNNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42O2Si/c1-35-25-28-44(45-23-13-12-21-41(35)45)38-26-29-46-47-33-50-51(34-53(47)58(2,3)52(46)32-38)55(57,40-19-8-5-9-20-40)49-31-37(43-24-14-16-36-15-10-11-22-42(36)43)27-30-48(49)54(50,56)39-17-6-4-7-18-39/h4-34,56-57H,1-3H3.
What are the key properties of 10,10-dimethyl-7-(4-methylnaphthalen-1-yl)-17-naphthalen-1-yl-14,21-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-14,21-diol?
10,10-dimethyl-7-(4-methylnaphthalen-1-yl)-17-naphthalen-1-yl-14,21-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-14,21-diol has a molecular weight of 763.03 g/mol, XLogP of 11.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-7-(4-methylnaphthalen-1-yl)-17-naphthalen-1-yl-14,21-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-14,21-diol is sourced from PubChem (CID 91590613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).