11,26,34,36-tetrakis[2,6-di(propan-2-yl)phenoxy]-7,22-diphenyl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2(36),3,5(35),9,11,13,15,17(34),18,20(33),24,26,28(32),29-pentadecaene-6,8,21,23-tetrone

C94H86N2O8 — CID 154620527

IUPAC11,26,34,36-tetrakis[2,6-di(propan-2-yl)phenoxy]-7,22-diphenyl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2(36),3,5(35),9,11,13,15,17(34),18,20(33),24,26,28(32),29-pentadecaene-6,8,21,23-tetrone
SMILESCC(C)c1cccc(C(C)C)c1Oc1cc2c3c(cc(Oc4c(C(C)C)cccc4C(C)C)c4c5ccc6c7c(Oc8c(C(C)C)cccc8C(C)C)cc8c9c(cc(Oc%10c(C(C)C)cccc%10C(C)C)c(c%10ccc(c1c34)c5c%106)c97)C(=O)N(c1ccccc1)C8=O)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C94H86N2O8/c1-47(2)57-31-23-32-58(48(3)4)87(57)101-73-43-69-79-70(92(98)95(91(69)97)55-27-19-17-20-28-55)44-74(102-88-59(49(5)6)33-24-34-60(88)50(7)8)82-66-41-42-68-78-67(40-39-65(77(66)78)81(73)85(79)82)83-75(103-89-61(51(9)10)35-25-36-62(89)52(11)12)45-71-80-72(94(100)96(93(71)99)56-29-21-18-22-30-56)46-76(84(68)86(80)83)104-90-63(53(13)14)37-26-38-64(90)54(15)16/h17-54H,1-16H3
InChIKeyNXWWIEAGOXUHKX-UHFFFAOYSA-N
MW1371.73 g/mol
LogP26.39
Rot. Bonds18

About 11,26,34,36-tetrakis[2,6-di(propan-2-yl)phenoxy]-7,22-diphenyl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2(36),3,5(35),9,11,13,15,17(34),18,20(33),24,26,28(32),29-pentadecaene-6,8,21,23-tetrone

11,26,34,36-tetrakis[2,6-di(propan-2-yl)phenoxy]-7,22-diphenyl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2(36),3,5(35),9,11,13,15,17(34),18,20(33),24,26,28(32),29-pentadecaene-6,8,21,23-tetrone (PubChem CID 154620527) has the molecular formula C94H86N2O8 and a molecular weight of 1371.73 g/mol. Its IUPAC name is 11,26,34,36-tetrakis[2,6-di(propan-2-yl)phenoxy]-7,22-diphenyl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2(36),3,5(35),9,11,13,15,17(34),18,20(33),24,26,28(32),29-pentadecaene-6,8,21,23-tetrone.

Molecular Properties

Compound Name11,26,34,36-tetrakis[2,6-di(propan-2-yl)phenoxy]-7,22-diphenyl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2(36),3,5(35),9,11,13,15,17(34),18,20(33),24,26,28(32),29-pentadecaene-6,8,21,23-tetrone
PubChem CID154620527
Molecular FormulaC94H86N2O8
Molecular Weight1371.73 g/mol
Exact Mass1370.64
IUPAC Name11,26,34,36-tetrakis[2,6-di(propan-2-yl)phenoxy]-7,22-diphenyl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2(36),3,5(35),9,11,13,15,17(34),18,20(33),24,26,28(32),29-pentadecaene-6,8,21,23-tetrone
SMILESCC(C)c1cccc(C(C)C)c1Oc1cc2c3c(cc(Oc4c(C(C)C)cccc4C(C)C)c4c5ccc6c7c(Oc8c(C(C)C)cccc8C(C)C)cc8c9c(cc(Oc%10c(C(C)C)cccc%10C(C)C)c(c%10ccc(c1c34)c5c%106)c97)C(=O)N(c1ccccc1)C8=O)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C94H86N2O8/c1-47(2)57-31-23-32-58(48(3)4)87(57)101-73-43-69-79-70(92(98)95(91(69)97)55-27-19-17-20-28-55)44-74(102-88-59(49(5)6)33-24-34-60(88)50(7)8)82-66-41-42-68-78-67(40-39-65(77(66)78)81(73)85(79)82)83-75(103-89-61(51(9)10)35-25-36-62(89)52(11)12)45-71-80-72(94(100)96(93(71)99)56-29-21-18-22-30-56)46-76(84(68)86(80)83)104-90-63(53(13)14)37-26-38-64(90)54(15)16/h17-54H,1-16H3
InChIKeyNXWWIEAGOXUHKX-UHFFFAOYSA-N
XLogP26.39
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001371.73
LogP ≤ 526.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 11,26,34,36-tetrakis[2,6-di(propan-2-yl)phenoxy]-7,22-diphenyl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2(36),3,5(35),9,11,13,15,17(34),18,20(33),24,26,28(32),29-pentadecaene-6,8,21,23-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,26,34,36-tetrakis[2,6-di(propan-2-yl)phenoxy]-7,22-diphenyl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2(36),3,5(35),9,11,13,15,17(34),18,20(33),24,26,28(32),29-pentadecaene-6,8,21,23-tetrone?
The IUPAC name of 11,26,34,36-tetrakis[2,6-di(propan-2-yl)phenoxy]-7,22-diphenyl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2(36),3,5(35),9,11,13,15,17(34),18,20(33),24,26,28(32),29-pentadecaene-6,8,21,23-tetrone (CID 154620527) is 11,26,34,36-tetrakis[2,6-di(propan-2-yl)phenoxy]-7,22-diphenyl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2(36),3,5(35),9,11,13,15,17(34),18,20(33),24,26,28(32),29-pentadecaene-6,8,21,23-tetrone.
What is the SMILES notation for 11,26,34,36-tetrakis[2,6-di(propan-2-yl)phenoxy]-7,22-diphenyl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2(36),3,5(35),9,11,13,15,17(34),18,20(33),24,26,28(32),29-pentadecaene-6,8,21,23-tetrone?
The canonical SMILES for 11,26,34,36-tetrakis[2,6-di(propan-2-yl)phenoxy]-7,22-diphenyl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2(36),3,5(35),9,11,13,15,17(34),18,20(33),24,26,28(32),29-pentadecaene-6,8,21,23-tetrone is CC(C)c1cccc(C(C)C)c1Oc1cc2c3c(cc(Oc4c(C(C)C)cccc4C(C)C)c4c5ccc6c7c(Oc8c(C(C)C)cccc8C(C)C)cc8c9c(cc(Oc%10c(C(C)C)cccc%10C(C)C)c(c%10ccc(c1c34)c5c%106)c97)C(=O)N(c1ccccc1)C8=O)C(=O)N(c1ccccc1)C2=O.
What is the InChIKey of 11,26,34,36-tetrakis[2,6-di(propan-2-yl)phenoxy]-7,22-diphenyl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2(36),3,5(35),9,11,13,15,17(34),18,20(33),24,26,28(32),29-pentadecaene-6,8,21,23-tetrone?
The InChIKey is NXWWIEAGOXUHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H86N2O8/c1-47(2)57-31-23-32-58(48(3)4)87(57)101-73-43-69-79-70(92(98)95(91(69)97)55-27-19-17-20-28-55)44-74(102-88-59(49(5)6)33-24-34-60(88)50(7)8)82-66-41-42-68-78-67(40-39-65(77(66)78)81(73)85(79)82)83-75(103-89-61(51(9)10)35-25-36-62(89)52(11)12)45-71-80-72(94(100)96(93(71)99)56-29-21-18-22-30-56)46-76(84(68)86(80)83)104-90-63(53(13)14)37-26-38-64(90)54(15)16/h17-54H,1-16H3.
What are the key properties of 11,26,34,36-tetrakis[2,6-di(propan-2-yl)phenoxy]-7,22-diphenyl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2(36),3,5(35),9,11,13,15,17(34),18,20(33),24,26,28(32),29-pentadecaene-6,8,21,23-tetrone?
11,26,34,36-tetrakis[2,6-di(propan-2-yl)phenoxy]-7,22-diphenyl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2(36),3,5(35),9,11,13,15,17(34),18,20(33),24,26,28(32),29-pentadecaene-6,8,21,23-tetrone has a molecular weight of 1371.73 g/mol, XLogP of 26.39, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11,26,34,36-tetrakis[2,6-di(propan-2-yl)phenoxy]-7,22-diphenyl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2(36),3,5(35),9,11,13,15,17(34),18,20(33),24,26,28(32),29-pentadecaene-6,8,21,23-tetrone is sourced from PubChem (CID 154620527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).