26-[2,6-bis(2-cyclohexylethyl)phenyl]-15,30,38,40-tetraphenoxy-26-azaundecacyclo[18.14.2.22,5.221,24.03,16.04,13.06,11.017,35.022,31.023,28.032,36]tetraconta-1(35),2(40),3,5(39),6,8,10,13,15,17,19,21(38),22,24(37),28,30,32(36),33-octadecaene-12,25,27-trione

C85H65NO7 — CID 162477698

IUPAC26-[2,6-bis(2-cyclohexylethyl)phenyl]-15,30,38,40-tetraphenoxy-26-azaundecacyclo[18.14.2.22,5.221,24.03,16.04,13.06,11.017,35.022,31.023,28.032,36]tetraconta-1(35),2(40),3,5(39),6,8,10,13,15,17,19,21(38),22,24(37),28,30,32(36),33-octadecaene-12,25,27-trione
SMILESO=C1c2ccccc2-c2cc(Oc3ccccc3)c3c4ccc5c6c(Oc7ccccc7)cc7c8c(cc(Oc9ccccc9)c(c9ccc(c%10c(Oc%11ccccc%11)cc1c2c%103)c4c95)c86)C(=O)N(c1c(CCC2CCCCC2)cccc1CCC1CCCCC1)C7=O
InChIInChI=1S/C85H65NO7/c87-83-59-37-20-19-36-58(59)64-46-68(90-54-28-11-3-12-29-54)76-60-42-44-62-73-63(45-43-61(72(60)73)77-69(47-65(83)74(64)80(76)77)91-55-30-13-4-14-31-55)79-71(93-57-34-17-6-18-35-57)49-67-75-66(48-70(78(62)81(75)79)92-56-32-15-5-16-33-56)84(88)86(85(67)89)82-52(40-38-50-22-7-1-8-23-50)26-21-27-53(82)41-39-51-24-9-2-10-25-51/h3-6,11-21,26-37,42-51H,1-2,7-10,22-25,38-41H2
InChIKeyQEFDTNDMGHSORI-UHFFFAOYSA-N
MW1212.46 g/mol
LogP22.84
Rot. Bonds15

About 26-[2,6-bis(2-cyclohexylethyl)phenyl]-15,30,38,40-tetraphenoxy-26-azaundecacyclo[18.14.2.22,5.221,24.03,16.04,13.06,11.017,35.022,31.023,28.032,36]tetraconta-1(35),2(40),3,5(39),6,8,10,13,15,17,19,21(38),22,24(37),28,30,32(36),33-octadecaene-12,25,27-trione

26-[2,6-bis(2-cyclohexylethyl)phenyl]-15,30,38,40-tetraphenoxy-26-azaundecacyclo[18.14.2.22,5.221,24.03,16.04,13.06,11.017,35.022,31.023,28.032,36]tetraconta-1(35),2(40),3,5(39),6,8,10,13,15,17,19,21(38),22,24(37),28,30,32(36),33-octadecaene-12,25,27-trione (PubChem CID 162477698) has the molecular formula C85H65NO7 and a molecular weight of 1212.46 g/mol. Its IUPAC name is 26-[2,6-bis(2-cyclohexylethyl)phenyl]-15,30,38,40-tetraphenoxy-26-azaundecacyclo[18.14.2.22,5.221,24.03,16.04,13.06,11.017,35.022,31.023,28.032,36]tetraconta-1(35),2(40),3,5(39),6,8,10,13,15,17,19,21(38),22,24(37),28,30,32(36),33-octadecaene-12,25,27-trione.

Molecular Properties

Compound Name26-[2,6-bis(2-cyclohexylethyl)phenyl]-15,30,38,40-tetraphenoxy-26-azaundecacyclo[18.14.2.22,5.221,24.03,16.04,13.06,11.017,35.022,31.023,28.032,36]tetraconta-1(35),2(40),3,5(39),6,8,10,13,15,17,19,21(38),22,24(37),28,30,32(36),33-octadecaene-12,25,27-trione
PubChem CID162477698
Molecular FormulaC85H65NO7
Molecular Weight1212.46 g/mol
Exact Mass1211.48
IUPAC Name26-[2,6-bis(2-cyclohexylethyl)phenyl]-15,30,38,40-tetraphenoxy-26-azaundecacyclo[18.14.2.22,5.221,24.03,16.04,13.06,11.017,35.022,31.023,28.032,36]tetraconta-1(35),2(40),3,5(39),6,8,10,13,15,17,19,21(38),22,24(37),28,30,32(36),33-octadecaene-12,25,27-trione
SMILESO=C1c2ccccc2-c2cc(Oc3ccccc3)c3c4ccc5c6c(Oc7ccccc7)cc7c8c(cc(Oc9ccccc9)c(c9ccc(c%10c(Oc%11ccccc%11)cc1c2c%103)c4c95)c86)C(=O)N(c1c(CCC2CCCCC2)cccc1CCC1CCCCC1)C7=O
InChIInChI=1S/C85H65NO7/c87-83-59-37-20-19-36-58(59)64-46-68(90-54-28-11-3-12-29-54)76-60-42-44-62-73-63(45-43-61(72(60)73)77-69(47-65(83)74(64)80(76)77)91-55-30-13-4-14-31-55)79-71(93-57-34-17-6-18-35-57)49-67-75-66(48-70(78(62)81(75)79)92-56-32-15-5-16-33-56)84(88)86(85(67)89)82-52(40-38-50-22-7-1-8-23-50)26-21-27-53(82)41-39-51-24-9-2-10-25-51/h3-6,11-21,26-37,42-51H,1-2,7-10,22-25,38-41H2
InChIKeyQEFDTNDMGHSORI-UHFFFAOYSA-N
XLogP22.84
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001212.46
LogP ≤ 522.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 26-[2,6-bis(2-cyclohexylethyl)phenyl]-15,30,38,40-tetraphenoxy-26-azaundecacyclo[18.14.2.22,5.221,24.03,16.04,13.06,11.017,35.022,31.023,28.032,36]tetraconta-1(35),2(40),3,5(39),6,8,10,13,15,17,19,21(38),22,24(37),28,30,32(36),33-octadecaene-12,25,27-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 26-[2,6-bis(2-cyclohexylethyl)phenyl]-15,30,38,40-tetraphenoxy-26-azaundecacyclo[18.14.2.22,5.221,24.03,16.04,13.06,11.017,35.022,31.023,28.032,36]tetraconta-1(35),2(40),3,5(39),6,8,10,13,15,17,19,21(38),22,24(37),28,30,32(36),33-octadecaene-12,25,27-trione?
The IUPAC name of 26-[2,6-bis(2-cyclohexylethyl)phenyl]-15,30,38,40-tetraphenoxy-26-azaundecacyclo[18.14.2.22,5.221,24.03,16.04,13.06,11.017,35.022,31.023,28.032,36]tetraconta-1(35),2(40),3,5(39),6,8,10,13,15,17,19,21(38),22,24(37),28,30,32(36),33-octadecaene-12,25,27-trione (CID 162477698) is 26-[2,6-bis(2-cyclohexylethyl)phenyl]-15,30,38,40-tetraphenoxy-26-azaundecacyclo[18.14.2.22,5.221,24.03,16.04,13.06,11.017,35.022,31.023,28.032,36]tetraconta-1(35),2(40),3,5(39),6,8,10,13,15,17,19,21(38),22,24(37),28,30,32(36),33-octadecaene-12,25,27-trione.
What is the SMILES notation for 26-[2,6-bis(2-cyclohexylethyl)phenyl]-15,30,38,40-tetraphenoxy-26-azaundecacyclo[18.14.2.22,5.221,24.03,16.04,13.06,11.017,35.022,31.023,28.032,36]tetraconta-1(35),2(40),3,5(39),6,8,10,13,15,17,19,21(38),22,24(37),28,30,32(36),33-octadecaene-12,25,27-trione?
The canonical SMILES for 26-[2,6-bis(2-cyclohexylethyl)phenyl]-15,30,38,40-tetraphenoxy-26-azaundecacyclo[18.14.2.22,5.221,24.03,16.04,13.06,11.017,35.022,31.023,28.032,36]tetraconta-1(35),2(40),3,5(39),6,8,10,13,15,17,19,21(38),22,24(37),28,30,32(36),33-octadecaene-12,25,27-trione is O=C1c2ccccc2-c2cc(Oc3ccccc3)c3c4ccc5c6c(Oc7ccccc7)cc7c8c(cc(Oc9ccccc9)c(c9ccc(c%10c(Oc%11ccccc%11)cc1c2c%103)c4c95)c86)C(=O)N(c1c(CCC2CCCCC2)cccc1CCC1CCCCC1)C7=O.
What is the InChIKey of 26-[2,6-bis(2-cyclohexylethyl)phenyl]-15,30,38,40-tetraphenoxy-26-azaundecacyclo[18.14.2.22,5.221,24.03,16.04,13.06,11.017,35.022,31.023,28.032,36]tetraconta-1(35),2(40),3,5(39),6,8,10,13,15,17,19,21(38),22,24(37),28,30,32(36),33-octadecaene-12,25,27-trione?
The InChIKey is QEFDTNDMGHSORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H65NO7/c87-83-59-37-20-19-36-58(59)64-46-68(90-54-28-11-3-12-29-54)76-60-42-44-62-73-63(45-43-61(72(60)73)77-69(47-65(83)74(64)80(76)77)91-55-30-13-4-14-31-55)79-71(93-57-34-17-6-18-35-57)49-67-75-66(48-70(78(62)81(75)79)92-56-32-15-5-16-33-56)84(88)86(85(67)89)82-52(40-38-50-22-7-1-8-23-50)26-21-27-53(82)41-39-51-24-9-2-10-25-51/h3-6,11-21,26-37,42-51H,1-2,7-10,22-25,38-41H2.
What are the key properties of 26-[2,6-bis(2-cyclohexylethyl)phenyl]-15,30,38,40-tetraphenoxy-26-azaundecacyclo[18.14.2.22,5.221,24.03,16.04,13.06,11.017,35.022,31.023,28.032,36]tetraconta-1(35),2(40),3,5(39),6,8,10,13,15,17,19,21(38),22,24(37),28,30,32(36),33-octadecaene-12,25,27-trione?
26-[2,6-bis(2-cyclohexylethyl)phenyl]-15,30,38,40-tetraphenoxy-26-azaundecacyclo[18.14.2.22,5.221,24.03,16.04,13.06,11.017,35.022,31.023,28.032,36]tetraconta-1(35),2(40),3,5(39),6,8,10,13,15,17,19,21(38),22,24(37),28,30,32(36),33-octadecaene-12,25,27-trione has a molecular weight of 1212.46 g/mol, XLogP of 22.84, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 26-[2,6-bis(2-cyclohexylethyl)phenyl]-15,30,38,40-tetraphenoxy-26-azaundecacyclo[18.14.2.22,5.221,24.03,16.04,13.06,11.017,35.022,31.023,28.032,36]tetraconta-1(35),2(40),3,5(39),6,8,10,13,15,17,19,21(38),22,24(37),28,30,32(36),33-octadecaene-12,25,27-trione is sourced from PubChem (CID 162477698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).