4-[[21,25,29,33-tetramethyl-10,15,35-tris(pyridin-4-ylmethoxy)-2,7,12,17-tetraoxanonacyclo[17.15.1.120,34.04,32.06,30.09,28.011,26.014,24.016,22]hexatriaconta-1(34),4,6(30),9,11(26),14,16(22),19(35),20(36),23,27,31-dodecaen-5-yl]oxymethyl]pyridine

C60H52N4O8 — CID 101245057

IUPAC4-[[21,25,29,33-tetramethyl-10,15,35-tris(pyridin-4-ylmethoxy)-2,7,12,17-tetraoxanonacyclo[17.15.1.120,34.04,32.06,30.09,28.011,26.014,24.016,22]hexatriaconta-1(34),4,6(30),9,11(26),14,16(22),19(35),20(36),23,27,31-dodecaen-5-yl]oxymethyl]pyridine
SMILESCC1c2cc3c4c(OCc5ccncc5)c2COc2c1cc1c(c2OCc2ccncc2)COc2c(cc5c(c2OCc2ccncc2)COc2c(cc(c(c2OCc2ccncc2)CO4)C3C)C5C)C1C
InChIInChI=1S/C60H52N4O8/c1-33-41-21-46-35(3)43-23-48-36(4)44-24-47-34(2)42-22-45(33)53-58(66-26-38-7-15-62-16-8-38)50(42)30-71-55(47)60(68-28-40-11-19-64-20-12-40)52(44)32-72-56(48)59(67-27-39-9-17-63-18-10-39)51(43)31-70-54(46)57(49(41)29-69-53)65-25-37-5-13-61-14-6-37/h5-24,33-36H,25-32H2,1-4H3
InChIKeyUFVUMOKFIJIFMJ-UHFFFAOYSA-N
MW957.10 g/mol
LogP12.07
Rot. Bonds12

About 4-[[21,25,29,33-tetramethyl-10,15,35-tris(pyridin-4-ylmethoxy)-2,7,12,17-tetraoxanonacyclo[17.15.1.120,34.04,32.06,30.09,28.011,26.014,24.016,22]hexatriaconta-1(34),4,6(30),9,11(26),14,16(22),19(35),20(36),23,27,31-dodecaen-5-yl]oxymethyl]pyridine

4-[[21,25,29,33-tetramethyl-10,15,35-tris(pyridin-4-ylmethoxy)-2,7,12,17-tetraoxanonacyclo[17.15.1.120,34.04,32.06,30.09,28.011,26.014,24.016,22]hexatriaconta-1(34),4,6(30),9,11(26),14,16(22),19(35),20(36),23,27,31-dodecaen-5-yl]oxymethyl]pyridine (PubChem CID 101245057) has the molecular formula C60H52N4O8 and a molecular weight of 957.10 g/mol. Its IUPAC name is 4-[[21,25,29,33-tetramethyl-10,15,35-tris(pyridin-4-ylmethoxy)-2,7,12,17-tetraoxanonacyclo[17.15.1.120,34.04,32.06,30.09,28.011,26.014,24.016,22]hexatriaconta-1(34),4,6(30),9,11(26),14,16(22),19(35),20(36),23,27,31-dodecaen-5-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name4-[[21,25,29,33-tetramethyl-10,15,35-tris(pyridin-4-ylmethoxy)-2,7,12,17-tetraoxanonacyclo[17.15.1.120,34.04,32.06,30.09,28.011,26.014,24.016,22]hexatriaconta-1(34),4,6(30),9,11(26),14,16(22),19(35),20(36),23,27,31-dodecaen-5-yl]oxymethyl]pyridine
PubChem CID101245057
Molecular FormulaC60H52N4O8
Molecular Weight957.10 g/mol
Exact Mass956.38
IUPAC Name4-[[21,25,29,33-tetramethyl-10,15,35-tris(pyridin-4-ylmethoxy)-2,7,12,17-tetraoxanonacyclo[17.15.1.120,34.04,32.06,30.09,28.011,26.014,24.016,22]hexatriaconta-1(34),4,6(30),9,11(26),14,16(22),19(35),20(36),23,27,31-dodecaen-5-yl]oxymethyl]pyridine
SMILESCC1c2cc3c4c(OCc5ccncc5)c2COc2c1cc1c(c2OCc2ccncc2)COc2c(cc5c(c2OCc2ccncc2)COc2c(cc(c(c2OCc2ccncc2)CO4)C3C)C5C)C1C
InChIInChI=1S/C60H52N4O8/c1-33-41-21-46-35(3)43-23-48-36(4)44-24-47-34(2)42-22-45(33)53-58(66-26-38-7-15-62-16-8-38)50(42)30-71-55(47)60(68-28-40-11-19-64-20-12-40)52(44)32-72-56(48)59(67-27-39-9-17-63-18-10-39)51(43)31-70-54(46)57(49(41)29-69-53)65-25-37-5-13-61-14-6-37/h5-24,33-36H,25-32H2,1-4H3
InChIKeyUFVUMOKFIJIFMJ-UHFFFAOYSA-N
XLogP12.07
TPSA125.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500957.10
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[[21,25,29,33-tetramethyl-10,15,35-tris(pyridin-4-ylmethoxy)-2,7,12,17-tetraoxanonacyclo[17.15.1.120,34.04,32.06,30.09,28.011,26.014,24.016,22]hexatriaconta-1(34),4,6(30),9,11(26),14,16(22),19(35),20(36),23,27,31-dodecaen-5-yl]oxymethyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[21,25,29,33-tetramethyl-10,15,35-tris(pyridin-4-ylmethoxy)-2,7,12,17-tetraoxanonacyclo[17.15.1.120,34.04,32.06,30.09,28.011,26.014,24.016,22]hexatriaconta-1(34),4,6(30),9,11(26),14,16(22),19(35),20(36),23,27,31-dodecaen-5-yl]oxymethyl]pyridine?
The IUPAC name of 4-[[21,25,29,33-tetramethyl-10,15,35-tris(pyridin-4-ylmethoxy)-2,7,12,17-tetraoxanonacyclo[17.15.1.120,34.04,32.06,30.09,28.011,26.014,24.016,22]hexatriaconta-1(34),4,6(30),9,11(26),14,16(22),19(35),20(36),23,27,31-dodecaen-5-yl]oxymethyl]pyridine (CID 101245057) is 4-[[21,25,29,33-tetramethyl-10,15,35-tris(pyridin-4-ylmethoxy)-2,7,12,17-tetraoxanonacyclo[17.15.1.120,34.04,32.06,30.09,28.011,26.014,24.016,22]hexatriaconta-1(34),4,6(30),9,11(26),14,16(22),19(35),20(36),23,27,31-dodecaen-5-yl]oxymethyl]pyridine.
What is the SMILES notation for 4-[[21,25,29,33-tetramethyl-10,15,35-tris(pyridin-4-ylmethoxy)-2,7,12,17-tetraoxanonacyclo[17.15.1.120,34.04,32.06,30.09,28.011,26.014,24.016,22]hexatriaconta-1(34),4,6(30),9,11(26),14,16(22),19(35),20(36),23,27,31-dodecaen-5-yl]oxymethyl]pyridine?
The canonical SMILES for 4-[[21,25,29,33-tetramethyl-10,15,35-tris(pyridin-4-ylmethoxy)-2,7,12,17-tetraoxanonacyclo[17.15.1.120,34.04,32.06,30.09,28.011,26.014,24.016,22]hexatriaconta-1(34),4,6(30),9,11(26),14,16(22),19(35),20(36),23,27,31-dodecaen-5-yl]oxymethyl]pyridine is CC1c2cc3c4c(OCc5ccncc5)c2COc2c1cc1c(c2OCc2ccncc2)COc2c(cc5c(c2OCc2ccncc2)COc2c(cc(c(c2OCc2ccncc2)CO4)C3C)C5C)C1C.
What is the InChIKey of 4-[[21,25,29,33-tetramethyl-10,15,35-tris(pyridin-4-ylmethoxy)-2,7,12,17-tetraoxanonacyclo[17.15.1.120,34.04,32.06,30.09,28.011,26.014,24.016,22]hexatriaconta-1(34),4,6(30),9,11(26),14,16(22),19(35),20(36),23,27,31-dodecaen-5-yl]oxymethyl]pyridine?
The InChIKey is UFVUMOKFIJIFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52N4O8/c1-33-41-21-46-35(3)43-23-48-36(4)44-24-47-34(2)42-22-45(33)53-58(66-26-38-7-15-62-16-8-38)50(42)30-71-55(47)60(68-28-40-11-19-64-20-12-40)52(44)32-72-56(48)59(67-27-39-9-17-63-18-10-39)51(43)31-70-54(46)57(49(41)29-69-53)65-25-37-5-13-61-14-6-37/h5-24,33-36H,25-32H2,1-4H3.
What are the key properties of 4-[[21,25,29,33-tetramethyl-10,15,35-tris(pyridin-4-ylmethoxy)-2,7,12,17-tetraoxanonacyclo[17.15.1.120,34.04,32.06,30.09,28.011,26.014,24.016,22]hexatriaconta-1(34),4,6(30),9,11(26),14,16(22),19(35),20(36),23,27,31-dodecaen-5-yl]oxymethyl]pyridine?
4-[[21,25,29,33-tetramethyl-10,15,35-tris(pyridin-4-ylmethoxy)-2,7,12,17-tetraoxanonacyclo[17.15.1.120,34.04,32.06,30.09,28.011,26.014,24.016,22]hexatriaconta-1(34),4,6(30),9,11(26),14,16(22),19(35),20(36),23,27,31-dodecaen-5-yl]oxymethyl]pyridine has a molecular weight of 957.10 g/mol, XLogP of 12.07, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[21,25,29,33-tetramethyl-10,15,35-tris(pyridin-4-ylmethoxy)-2,7,12,17-tetraoxanonacyclo[17.15.1.120,34.04,32.06,30.09,28.011,26.014,24.016,22]hexatriaconta-1(34),4,6(30),9,11(26),14,16(22),19(35),20(36),23,27,31-dodecaen-5-yl]oxymethyl]pyridine is sourced from PubChem (CID 101245057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).