dichloromethane;ethanol;4-[4-[25,29,33,37-tetraethyl-15-(4-pyridin-4-ylphenyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5(36),6,11,13(30),17(28),18,23(39),24(40),26,31,34-dodecaen-3-yl]phenyl]pyridine

C65H62Cl2N2O9 — CID 139089896

About dichloromethane;ethanol;4-[4-[25,29,33,37-tetraethyl-15-(4-pyridin-4-ylphenyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5(36),6,11,13(30),17(28),18,23(39),24(40),26,31,34-dodecaen-3-yl]phenyl]pyridine

dichloromethane;ethanol;4-[4-[25,29,33,37-tetraethyl-15-(4-pyridin-4-ylphenyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5(36),6,11,13(30),17(28),18,23(39),24(40),26,31,34-dodecaen-3-yl]phenyl]pyridine (PubChem CID 139089896) has the molecular formula C65H62Cl2N2O9 and a molecular weight of 1086.12 g/mol. Its IUPAC name is dichloromethane;ethanol;4-[4-[25,29,33,37-tetraethyl-15-(4-pyridin-4-ylphenyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5(36),6,11,13(30),17(28),18,23(39),24(40),26,31,34-dodecaen-3-yl]phenyl]pyridine.

Molecular Properties

• Compound Name: dichloromethane;ethanol;4-[4-[25,29,33,37-tetraethyl-15-(4-pyridin-4-ylphenyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5(36),6,11,13(30),17(28),18,23(39),24(40),26,31,34-dodecaen-3-yl]phenyl]pyridine
• PubChem CID: 139089896
• Molecular Formula: C65H62Cl2N2O9
• Molecular Weight: 1086.12 g/mol
• Exact Mass: 1084.38
• IUPAC Name: dichloromethane;ethanol;4-[4-[25,29,33,37-tetraethyl-15-(4-pyridin-4-ylphenyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5(36),6,11,13(30),17(28),18,23(39),24(40),26,31,34-dodecaen-3-yl]phenyl]pyridine
• SMILES: CCC1c2cc3c4cc2OCOc2cc5c(cc21)C(CC)c1cc2c(cc1OC(c1ccc(-c6ccncc6)cc1)O5)OCOc1cc(c(cc1C2CC)C3CC)OC(c1ccc(-c2ccncc2)cc1)O4.CCO.ClCCl
• InChI: InChI=1S/C62H54N2O8.C2H6O.CH2Cl2/c1-5-41-45-25-49-43(7-3)51-27-47-42(6-2)48-28-52-44(8-4)50-26-46(41)54-30-58(50)70-62(40-15-11-36(12-16-40)38-19-23-64-24-20-38)72-60(52)32-56(48)68-34-67-55(47)31-59(51)71-61(69-57(49)29-53(45)65-33-66-54)39-13-9-35(10-14-39)37-17-21-63-22-18-37;1-2-3;2-1-3/h9-32,41-44,61-62H,5-8,33-34H2,1-4H3;3H,2H2,1H3;1H2
• InChIKey: IHQBLGNPXGOBEP-UHFFFAOYSA-N
• XLogP: 16.11
• TPSA: 119.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1086.12
LogP ≤ 5	16.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dichloromethane;ethanol;4-[4-[25,29,33,37-tetraethyl-15-(4-pyridin-4-ylphenyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5(36),6,11,13(30),17(28),18,23(39),24(40),26,31,34-dodecaen-3-yl]phenyl]pyridine?

The IUPAC name of dichloromethane;ethanol;4-[4-[25,29,33,37-tetraethyl-15-(4-pyridin-4-ylphenyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5(36),6,11,13(30),17(28),18,23(39),24(40),26,31,34-dodecaen-3-yl]phenyl]pyridine (CID 139089896) is dichloromethane;ethanol;4-[4-[25,29,33,37-tetraethyl-15-(4-pyridin-4-ylphenyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5(36),6,11,13(30),17(28),18,23(39),24(40),26,31,34-dodecaen-3-yl]phenyl]pyridine.

What is the SMILES notation for dichloromethane;ethanol;4-[4-[25,29,33,37-tetraethyl-15-(4-pyridin-4-ylphenyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5(36),6,11,13(30),17(28),18,23(39),24(40),26,31,34-dodecaen-3-yl]phenyl]pyridine?

The canonical SMILES for dichloromethane;ethanol;4-[4-[25,29,33,37-tetraethyl-15-(4-pyridin-4-ylphenyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5(36),6,11,13(30),17(28),18,23(39),24(40),26,31,34-dodecaen-3-yl]phenyl]pyridine is CCC1c2cc3c4cc2OCOc2cc5c(cc21)C(CC)c1cc2c(cc1OC(c1ccc(-c6ccncc6)cc1)O5)OCOc1cc(c(cc1C2CC)C3CC)OC(c1ccc(-c2ccncc2)cc1)O4.CCO.ClCCl.

What is the InChIKey of dichloromethane;ethanol;4-[4-[25,29,33,37-tetraethyl-15-(4-pyridin-4-ylphenyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5(36),6,11,13(30),17(28),18,23(39),24(40),26,31,34-dodecaen-3-yl]phenyl]pyridine?

The InChIKey is IHQBLGNPXGOBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H54N2O8.C2H6O.CH2Cl2/c1-5-41-45-25-49-43(7-3)51-27-47-42(6-2)48-28-52-44(8-4)50-26-46(41)54-30-58(50)70-62(40-15-11-36(12-16-40)38-19-23-64-24-20-38)72-60(52)32-56(48)68-34-67-55(47)31-59(51)71-61(69-57(49)29-53(45)65-33-66-54)39-13-9-35(10-14-39)37-17-21-63-22-18-37;1-2-3;2-1-3/h9-32,41-44,61-62H,5-8,33-34H2,1-4H3;3H,2H2,1H3;1H2.

What are the key properties of dichloromethane;ethanol;4-[4-[25,29,33,37-tetraethyl-15-(4-pyridin-4-ylphenyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5(36),6,11,13(30),17(28),18,23(39),24(40),26,31,34-dodecaen-3-yl]phenyl]pyridine?

dichloromethane;ethanol;4-[4-[25,29,33,37-tetraethyl-15-(4-pyridin-4-ylphenyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5(36),6,11,13(30),17(28),18,23(39),24(40),26,31,34-dodecaen-3-yl]phenyl]pyridine has a molecular weight of 1086.12 g/mol, XLogP of 16.11, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;ethanol;4-[4-[25,29,33,37-tetraethyl-15-(4-pyridin-4-ylphenyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5(36),6,11,13(30),17(28),18,23(39),24(40),26,31,34-dodecaen-3-yl]phenyl]pyridine is sourced from PubChem (CID 139089896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).