15-(4-triphenylen-2-ylcyclohexyl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene

C60H59N3O6 — CID 140920147

IUPAC15-(4-triphenylen-2-ylcyclohexyl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene
SMILESc1ccc2c(c1)c1ccccc1c1cc(C3CCC(N4CCOCCOCCOc5ccc(cc5)-c5ccc6ccc7ccc(nc7c6n5)-c5ccc(cc5)OCCOCCOCC4)CC3)ccc21
InChIInChI=1S/C60H59N3O6/c1-2-7-53-51(5-1)52-6-3-4-8-54(52)56-41-47(17-26-55(53)56)42-11-20-48(21-12-42)63-29-31-64-33-35-66-37-39-68-49-22-13-43(14-23-49)57-27-18-45-9-10-46-19-28-58(62-60(46)59(45)61-57)44-15-24-50(25-16-44)69-40-38-67-36-34-65-32-30-63/h1-10,13-19,22-28,41-42,48H,11-12,20-21,29-40H2
InChIKeyANWJYNFXBVIHSB-UHFFFAOYSA-N
MW918.15 g/mol
LogP12.44
Rot. Bonds2

About 15-(4-triphenylen-2-ylcyclohexyl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene

15-(4-triphenylen-2-ylcyclohexyl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene (PubChem CID 140920147) has the molecular formula C60H59N3O6 and a molecular weight of 918.15 g/mol. Its IUPAC name is 15-(4-triphenylen-2-ylcyclohexyl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene.

Molecular Properties

Compound Name15-(4-triphenylen-2-ylcyclohexyl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene
PubChem CID140920147
Molecular FormulaC60H59N3O6
Molecular Weight918.15 g/mol
Exact Mass917.44
IUPAC Name15-(4-triphenylen-2-ylcyclohexyl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene
SMILESc1ccc2c(c1)c1ccccc1c1cc(C3CCC(N4CCOCCOCCOc5ccc(cc5)-c5ccc6ccc7ccc(nc7c6n5)-c5ccc(cc5)OCCOCCOCC4)CC3)ccc21
InChIInChI=1S/C60H59N3O6/c1-2-7-53-51(5-1)52-6-3-4-8-54(52)56-41-47(17-26-55(53)56)42-11-20-48(21-12-42)63-29-31-64-33-35-66-37-39-68-49-22-13-43(14-23-49)57-27-18-45-9-10-46-19-28-58(62-60(46)59(45)61-57)44-15-24-50(25-16-44)69-40-38-67-36-34-65-32-30-63/h1-10,13-19,22-28,41-42,48H,11-12,20-21,29-40H2
InChIKeyANWJYNFXBVIHSB-UHFFFAOYSA-N
XLogP12.44
TPSA84.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.15
LogP ≤ 512.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 15-(4-triphenylen-2-ylcyclohexyl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 15-(4-triphenylen-2-ylcyclohexyl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene?
The IUPAC name of 15-(4-triphenylen-2-ylcyclohexyl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene (CID 140920147) is 15-(4-triphenylen-2-ylcyclohexyl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene.
What is the SMILES notation for 15-(4-triphenylen-2-ylcyclohexyl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene?
The canonical SMILES for 15-(4-triphenylen-2-ylcyclohexyl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene is c1ccc2c(c1)c1ccccc1c1cc(C3CCC(N4CCOCCOCCOc5ccc(cc5)-c5ccc6ccc7ccc(nc7c6n5)-c5ccc(cc5)OCCOCCOCC4)CC3)ccc21.
What is the InChIKey of 15-(4-triphenylen-2-ylcyclohexyl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene?
The InChIKey is ANWJYNFXBVIHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H59N3O6/c1-2-7-53-51(5-1)52-6-3-4-8-54(52)56-41-47(17-26-55(53)56)42-11-20-48(21-12-42)63-29-31-64-33-35-66-37-39-68-49-22-13-43(14-23-49)57-27-18-45-9-10-46-19-28-58(62-60(46)59(45)61-57)44-15-24-50(25-16-44)69-40-38-67-36-34-65-32-30-63/h1-10,13-19,22-28,41-42,48H,11-12,20-21,29-40H2.
What are the key properties of 15-(4-triphenylen-2-ylcyclohexyl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene?
15-(4-triphenylen-2-ylcyclohexyl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene has a molecular weight of 918.15 g/mol, XLogP of 12.44, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-triphenylen-2-ylcyclohexyl)-6,9,12,18,21,24-hexaoxa-15,38,41-triazahexacyclo[27.8.4.22,5.225,28.032,40.035,39]pentatetraconta-1(38),2(45),3,5(44),25(43),26,28(42),29(41),30,32(40),33,35(39),36-tridecaene is sourced from PubChem (CID 140920147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).