(11R)-10,11,23-triethyl-9,9,10,11,12,12,22,22,23,25,25,26,26-tridecamethyl-1,3,5,7,14,16,18,20-octakis-phenyl-2,4,6,8,13,15,17,19,21,27,28,29,30,31-tetradecaoxa-1,3,5,7,9,12,14,16,18,20,22,26-dodecasilapentacyclo[14.11.1.13,14.15,20.17,18]hentriacontane

C72H96O14Si12 — CID 90181785

IUPAC(11R)-10,11,23-triethyl-9,9,10,11,12,12,22,22,23,25,25,26,26-tridecamethyl-1,3,5,7,14,16,18,20-octakis-phenyl-2,4,6,8,13,15,17,19,21,27,28,29,30,31-tetradecaoxa-1,3,5,7,9,12,14,16,18,20,22,26-dodecasilapentacyclo[14.11.1.13,14.15,20.17,18]hentriacontane
SMILESCCC1(C)CC(C)(C)[Si](C)(C)O[Si]2(c3ccccc3)O[Si]3(c4ccccc4)O[Si]4(c5ccccc5)O[Si](c5ccccc5)(O[Si]5(c6ccccc6)O[Si](c6ccccc6)(O2)O[Si](c2ccccc2)(O3)O[Si](C)(C)[C@](C)(CC)C(C)(CC)[Si](C)(C)O[Si](c2ccccc2)(O4)O5)O[Si]1(C)C
InChIInChI=1S/C72H96O14Si12/c1-17-70(6)60-69(4,5)87(9,10)73-91(61-44-28-20-29-45-61)77-95(65-52-36-24-37-53-65)81-93(63-48-32-22-33-49-63)75-89(13,14)71(7,18-2)72(8,19-3)90(15,16)76-94(64-50-34-23-35-51-64)83-97(85-95,67-56-40-26-41-57-67)79-92(74-88(70,11)12,62-46-30-21-31-47-62)80-98(84-94,68-58-42-27-43-59-68)86-96(78-91,82-93)66-54-38-25-39-55-66/h20-59H,17-19,60H2,1-16H3/t70?,71-,72?,91?,92?,93?,94?,95?,96?,97?,98?/m1/s1
InChIKeySPKWQZCUHQLYJL-WKJMVWTLSA-N
MW1522.58 g/mol
LogP12.56
Rot. Bonds11

About (11R)-10,11,23-triethyl-9,9,10,11,12,12,22,22,23,25,25,26,26-tridecamethyl-1,3,5,7,14,16,18,20-octakis-phenyl-2,4,6,8,13,15,17,19,21,27,28,29,30,31-tetradecaoxa-1,3,5,7,9,12,14,16,18,20,22,26-dodecasilapentacyclo[14.11.1.13,14.15,20.17,18]hentriacontane

(11R)-10,11,23-triethyl-9,9,10,11,12,12,22,22,23,25,25,26,26-tridecamethyl-1,3,5,7,14,16,18,20-octakis-phenyl-2,4,6,8,13,15,17,19,21,27,28,29,30,31-tetradecaoxa-1,3,5,7,9,12,14,16,18,20,22,26-dodecasilapentacyclo[14.11.1.13,14.15,20.17,18]hentriacontane (PubChem CID 90181785) has the molecular formula C72H96O14Si12 and a molecular weight of 1522.58 g/mol. Its IUPAC name is (11R)-10,11,23-triethyl-9,9,10,11,12,12,22,22,23,25,25,26,26-tridecamethyl-1,3,5,7,14,16,18,20-octakis-phenyl-2,4,6,8,13,15,17,19,21,27,28,29,30,31-tetradecaoxa-1,3,5,7,9,12,14,16,18,20,22,26-dodecasilapentacyclo[14.11.1.13,14.15,20.17,18]hentriacontane.

Molecular Properties

Compound Name(11R)-10,11,23-triethyl-9,9,10,11,12,12,22,22,23,25,25,26,26-tridecamethyl-1,3,5,7,14,16,18,20-octakis-phenyl-2,4,6,8,13,15,17,19,21,27,28,29,30,31-tetradecaoxa-1,3,5,7,9,12,14,16,18,20,22,26-dodecasilapentacyclo[14.11.1.13,14.15,20.17,18]hentriacontane
PubChem CID90181785
Molecular FormulaC72H96O14Si12
Molecular Weight1522.58 g/mol
Exact Mass1520.40
IUPAC Name(11R)-10,11,23-triethyl-9,9,10,11,12,12,22,22,23,25,25,26,26-tridecamethyl-1,3,5,7,14,16,18,20-octakis-phenyl-2,4,6,8,13,15,17,19,21,27,28,29,30,31-tetradecaoxa-1,3,5,7,9,12,14,16,18,20,22,26-dodecasilapentacyclo[14.11.1.13,14.15,20.17,18]hentriacontane
SMILESCCC1(C)CC(C)(C)[Si](C)(C)O[Si]2(c3ccccc3)O[Si]3(c4ccccc4)O[Si]4(c5ccccc5)O[Si](c5ccccc5)(O[Si]5(c6ccccc6)O[Si](c6ccccc6)(O2)O[Si](c2ccccc2)(O3)O[Si](C)(C)[C@](C)(CC)C(C)(CC)[Si](C)(C)O[Si](c2ccccc2)(O4)O5)O[Si]1(C)C
InChIInChI=1S/C72H96O14Si12/c1-17-70(6)60-69(4,5)87(9,10)73-91(61-44-28-20-29-45-61)77-95(65-52-36-24-37-53-65)81-93(63-48-32-22-33-49-63)75-89(13,14)71(7,18-2)72(8,19-3)90(15,16)76-94(64-50-34-23-35-51-64)83-97(85-95,67-56-40-26-41-57-67)79-92(74-88(70,11)12,62-46-30-21-31-47-62)80-98(84-94,68-58-42-27-43-59-68)86-96(78-91,82-93)66-54-38-25-39-55-66/h20-59H,17-19,60H2,1-16H3/t70?,71-,72?,91?,92?,93?,94?,95?,96?,97?,98?/m1/s1
InChIKeySPKWQZCUHQLYJL-WKJMVWTLSA-N
XLogP12.56
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001522.58
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze (11R)-10,11,23-triethyl-9,9,10,11,12,12,22,22,23,25,25,26,26-tridecamethyl-1,3,5,7,14,16,18,20-octakis-phenyl-2,4,6,8,13,15,17,19,21,27,28,29,30,31-tetradecaoxa-1,3,5,7,9,12,14,16,18,20,22,26-dodecasilapentacyclo[14.11.1.13,14.15,20.17,18]hentriacontane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11R)-10,11,23-triethyl-9,9,10,11,12,12,22,22,23,25,25,26,26-tridecamethyl-1,3,5,7,14,16,18,20-octakis-phenyl-2,4,6,8,13,15,17,19,21,27,28,29,30,31-tetradecaoxa-1,3,5,7,9,12,14,16,18,20,22,26-dodecasilapentacyclo[14.11.1.13,14.15,20.17,18]hentriacontane?
The IUPAC name of (11R)-10,11,23-triethyl-9,9,10,11,12,12,22,22,23,25,25,26,26-tridecamethyl-1,3,5,7,14,16,18,20-octakis-phenyl-2,4,6,8,13,15,17,19,21,27,28,29,30,31-tetradecaoxa-1,3,5,7,9,12,14,16,18,20,22,26-dodecasilapentacyclo[14.11.1.13,14.15,20.17,18]hentriacontane (CID 90181785) is (11R)-10,11,23-triethyl-9,9,10,11,12,12,22,22,23,25,25,26,26-tridecamethyl-1,3,5,7,14,16,18,20-octakis-phenyl-2,4,6,8,13,15,17,19,21,27,28,29,30,31-tetradecaoxa-1,3,5,7,9,12,14,16,18,20,22,26-dodecasilapentacyclo[14.11.1.13,14.15,20.17,18]hentriacontane.
What is the SMILES notation for (11R)-10,11,23-triethyl-9,9,10,11,12,12,22,22,23,25,25,26,26-tridecamethyl-1,3,5,7,14,16,18,20-octakis-phenyl-2,4,6,8,13,15,17,19,21,27,28,29,30,31-tetradecaoxa-1,3,5,7,9,12,14,16,18,20,22,26-dodecasilapentacyclo[14.11.1.13,14.15,20.17,18]hentriacontane?
The canonical SMILES for (11R)-10,11,23-triethyl-9,9,10,11,12,12,22,22,23,25,25,26,26-tridecamethyl-1,3,5,7,14,16,18,20-octakis-phenyl-2,4,6,8,13,15,17,19,21,27,28,29,30,31-tetradecaoxa-1,3,5,7,9,12,14,16,18,20,22,26-dodecasilapentacyclo[14.11.1.13,14.15,20.17,18]hentriacontane is CCC1(C)CC(C)(C)[Si](C)(C)O[Si]2(c3ccccc3)O[Si]3(c4ccccc4)O[Si]4(c5ccccc5)O[Si](c5ccccc5)(O[Si]5(c6ccccc6)O[Si](c6ccccc6)(O2)O[Si](c2ccccc2)(O3)O[Si](C)(C)[C@](C)(CC)C(C)(CC)[Si](C)(C)O[Si](c2ccccc2)(O4)O5)O[Si]1(C)C.
What is the InChIKey of (11R)-10,11,23-triethyl-9,9,10,11,12,12,22,22,23,25,25,26,26-tridecamethyl-1,3,5,7,14,16,18,20-octakis-phenyl-2,4,6,8,13,15,17,19,21,27,28,29,30,31-tetradecaoxa-1,3,5,7,9,12,14,16,18,20,22,26-dodecasilapentacyclo[14.11.1.13,14.15,20.17,18]hentriacontane?
The InChIKey is SPKWQZCUHQLYJL-WKJMVWTLSA-N. The full InChI is InChI=1S/C72H96O14Si12/c1-17-70(6)60-69(4,5)87(9,10)73-91(61-44-28-20-29-45-61)77-95(65-52-36-24-37-53-65)81-93(63-48-32-22-33-49-63)75-89(13,14)71(7,18-2)72(8,19-3)90(15,16)76-94(64-50-34-23-35-51-64)83-97(85-95,67-56-40-26-41-57-67)79-92(74-88(70,11)12,62-46-30-21-31-47-62)80-98(84-94,68-58-42-27-43-59-68)86-96(78-91,82-93)66-54-38-25-39-55-66/h20-59H,17-19,60H2,1-16H3/t70?,71-,72?,91?,92?,93?,94?,95?,96?,97?,98?/m1/s1.
What are the key properties of (11R)-10,11,23-triethyl-9,9,10,11,12,12,22,22,23,25,25,26,26-tridecamethyl-1,3,5,7,14,16,18,20-octakis-phenyl-2,4,6,8,13,15,17,19,21,27,28,29,30,31-tetradecaoxa-1,3,5,7,9,12,14,16,18,20,22,26-dodecasilapentacyclo[14.11.1.13,14.15,20.17,18]hentriacontane?
(11R)-10,11,23-triethyl-9,9,10,11,12,12,22,22,23,25,25,26,26-tridecamethyl-1,3,5,7,14,16,18,20-octakis-phenyl-2,4,6,8,13,15,17,19,21,27,28,29,30,31-tetradecaoxa-1,3,5,7,9,12,14,16,18,20,22,26-dodecasilapentacyclo[14.11.1.13,14.15,20.17,18]hentriacontane has a molecular weight of 1522.58 g/mol, XLogP of 12.56, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-10,11,23-triethyl-9,9,10,11,12,12,22,22,23,25,25,26,26-tridecamethyl-1,3,5,7,14,16,18,20-octakis-phenyl-2,4,6,8,13,15,17,19,21,27,28,29,30,31-tetradecaoxa-1,3,5,7,9,12,14,16,18,20,22,26-dodecasilapentacyclo[14.11.1.13,14.15,20.17,18]hentriacontane is sourced from PubChem (CID 90181785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).