11,23,35-trimethyl-5,17,29-triphenyl-2,8,14,20,26,32-hexaoxa-4,6,16,18,28,30-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene

C51H36N6O6 — CID 101410343

IUPAC11,23,35-trimethyl-5,17,29-triphenyl-2,8,14,20,26,32-hexaoxa-4,6,16,18,28,30-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene
SMILESCc1cc2cc(c1)oc1cc(nc(-c3ccccc3)n1)oc1cc(C)cc(c1)oc1cc(nc(-c3ccccc3)n1)oc1cc(C)cc(c1)oc1cc(nc(-c3ccccc3)n1)o2
InChIInChI=1S/C51H36N6O6/c1-31-19-37-25-38(20-31)59-44-29-46(55-50(53-44)35-15-9-5-10-16-35)61-40-22-33(3)24-42(27-40)63-48-30-47(56-51(57-48)36-17-11-6-12-18-36)62-41-23-32(2)21-39(26-41)60-45-28-43(58-37)52-49(54-45)34-13-7-4-8-14-34/h4-30H,1-3H3
InChIKeyXLRFMCQLNMAMNM-UHFFFAOYSA-N
MW828.89 g/mol
LogP13.52
Rot. Bonds3

About 11,23,35-trimethyl-5,17,29-triphenyl-2,8,14,20,26,32-hexaoxa-4,6,16,18,28,30-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene

11,23,35-trimethyl-5,17,29-triphenyl-2,8,14,20,26,32-hexaoxa-4,6,16,18,28,30-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene (PubChem CID 101410343) has the molecular formula C51H36N6O6 and a molecular weight of 828.89 g/mol. Its IUPAC name is 11,23,35-trimethyl-5,17,29-triphenyl-2,8,14,20,26,32-hexaoxa-4,6,16,18,28,30-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene.

Molecular Properties

Compound Name11,23,35-trimethyl-5,17,29-triphenyl-2,8,14,20,26,32-hexaoxa-4,6,16,18,28,30-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene
PubChem CID101410343
Molecular FormulaC51H36N6O6
Molecular Weight828.89 g/mol
Exact Mass828.27
IUPAC Name11,23,35-trimethyl-5,17,29-triphenyl-2,8,14,20,26,32-hexaoxa-4,6,16,18,28,30-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene
SMILESCc1cc2cc(c1)oc1cc(nc(-c3ccccc3)n1)oc1cc(C)cc(c1)oc1cc(nc(-c3ccccc3)n1)oc1cc(C)cc(c1)oc1cc(nc(-c3ccccc3)n1)o2
InChIInChI=1S/C51H36N6O6/c1-31-19-37-25-38(20-31)59-44-29-46(55-50(53-44)35-15-9-5-10-16-35)61-40-22-33(3)24-42(27-40)63-48-30-47(56-51(57-48)36-17-11-6-12-18-36)62-41-23-32(2)21-39(26-41)60-45-28-43(58-37)52-49(54-45)34-13-7-4-8-14-34/h4-30H,1-3H3
InChIKeyXLRFMCQLNMAMNM-UHFFFAOYSA-N
XLogP13.52
TPSA156.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500828.89
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 11,23,35-trimethyl-5,17,29-triphenyl-2,8,14,20,26,32-hexaoxa-4,6,16,18,28,30-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene with MolForge

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Related Compounds

11,23,35,47,59-pentamethyl-5,17,29,41,53-pentakis-phenyl-2,8,14,20,26,32,38,44,50,56-decaoxa-4,6,16,18,28,30,40,42,52,54-decazaundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(61),3(70),4,6,9(69),10,12,15(68),16,18,21(67),22,24,27(66),28,30,33,35,37(65),39,41,43(64),45,47,49(63),51,53,55(62),57,59-triacontaene
CID 101410345
2-[3,5-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176842963
2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176842997
4,6-dimethyl-2-phenylpyrimidine;methane
CID 159318650
ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
CID 144569166
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 129023209
4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
CID 138662738
4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(4-methylphenyl)-2-phenylpyrimidine
CID 135243270
2-[4-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 20652059
4-bromo-2,6-diphenylpyrimidine;ethane
CID 142370256
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 129023213
5-bromo-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 165473676

Frequently Asked Questions

What is the IUPAC name of 11,23,35-trimethyl-5,17,29-triphenyl-2,8,14,20,26,32-hexaoxa-4,6,16,18,28,30-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene?
The IUPAC name of 11,23,35-trimethyl-5,17,29-triphenyl-2,8,14,20,26,32-hexaoxa-4,6,16,18,28,30-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene (CID 101410343) is 11,23,35-trimethyl-5,17,29-triphenyl-2,8,14,20,26,32-hexaoxa-4,6,16,18,28,30-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene.
What is the SMILES notation for 11,23,35-trimethyl-5,17,29-triphenyl-2,8,14,20,26,32-hexaoxa-4,6,16,18,28,30-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene?
The canonical SMILES for 11,23,35-trimethyl-5,17,29-triphenyl-2,8,14,20,26,32-hexaoxa-4,6,16,18,28,30-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene is Cc1cc2cc(c1)oc1cc(nc(-c3ccccc3)n1)oc1cc(C)cc(c1)oc1cc(nc(-c3ccccc3)n1)oc1cc(C)cc(c1)oc1cc(nc(-c3ccccc3)n1)o2.
What is the InChIKey of 11,23,35-trimethyl-5,17,29-triphenyl-2,8,14,20,26,32-hexaoxa-4,6,16,18,28,30-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene?
The InChIKey is XLRFMCQLNMAMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N6O6/c1-31-19-37-25-38(20-31)59-44-29-46(55-50(53-44)35-15-9-5-10-16-35)61-40-22-33(3)24-42(27-40)63-48-30-47(56-51(57-48)36-17-11-6-12-18-36)62-41-23-32(2)21-39(26-41)60-45-28-43(58-37)52-49(54-45)34-13-7-4-8-14-34/h4-30H,1-3H3.
What are the key properties of 11,23,35-trimethyl-5,17,29-triphenyl-2,8,14,20,26,32-hexaoxa-4,6,16,18,28,30-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene?
11,23,35-trimethyl-5,17,29-triphenyl-2,8,14,20,26,32-hexaoxa-4,6,16,18,28,30-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene has a molecular weight of 828.89 g/mol, XLogP of 13.52, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 11,23,35-trimethyl-5,17,29-triphenyl-2,8,14,20,26,32-hexaoxa-4,6,16,18,28,30-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene is sourced from PubChem (CID 101410343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).