4-[25,26,27,28-tetrakis(2-ethoxyethoxy)-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]pyridine

C64H68N4O8 — CID 10534052

IUPAC4-[25,26,27,28-tetrakis(2-ethoxyethoxy)-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]pyridine
SMILESCCOCCOc1c2cc(-c3ccncc3)cc1Cc1cc(-c3ccncc3)cc(c1OCCOCC)Cc1cc(-c3ccncc3)cc(c1OCCOCC)Cc1cc(-c3ccncc3)cc(c1OCCOCC)C2
InChIInChI=1S/C64H68N4O8/c1-5-69-25-29-73-61-53-33-49(45-9-17-65-18-10-45)34-54(61)42-56-36-51(47-13-21-67-22-14-47)38-58(63(56)75-31-27-71-7-3)44-60-40-52(48-15-23-68-24-16-48)39-59(64(60)76-32-28-72-8-4)43-57-37-50(46-11-19-66-20-12-46)35-55(41-53)62(57)74-30-26-70-6-2/h9-24,33-40H,5-8,25-32,41-44H2,1-4H3
InChIKeyHROWGUWIDCIEOI-UHFFFAOYSA-N
MW1021.27 g/mol
LogP12.27
Rot. Bonds24

About 4-[25,26,27,28-tetrakis(2-ethoxyethoxy)-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]pyridine

4-[25,26,27,28-tetrakis(2-ethoxyethoxy)-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]pyridine (PubChem CID 10534052) has the molecular formula C64H68N4O8 and a molecular weight of 1021.27 g/mol. Its IUPAC name is 4-[25,26,27,28-tetrakis(2-ethoxyethoxy)-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]pyridine.

Molecular Properties

Compound Name4-[25,26,27,28-tetrakis(2-ethoxyethoxy)-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]pyridine
PubChem CID10534052
Molecular FormulaC64H68N4O8
Molecular Weight1021.27 g/mol
Exact Mass1020.50
IUPAC Name4-[25,26,27,28-tetrakis(2-ethoxyethoxy)-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]pyridine
SMILESCCOCCOc1c2cc(-c3ccncc3)cc1Cc1cc(-c3ccncc3)cc(c1OCCOCC)Cc1cc(-c3ccncc3)cc(c1OCCOCC)Cc1cc(-c3ccncc3)cc(c1OCCOCC)C2
InChIInChI=1S/C64H68N4O8/c1-5-69-25-29-73-61-53-33-49(45-9-17-65-18-10-45)34-54(61)42-56-36-51(47-13-21-67-22-14-47)38-58(63(56)75-31-27-71-7-3)44-60-40-52(48-15-23-68-24-16-48)39-59(64(60)76-32-28-72-8-4)43-57-37-50(46-11-19-66-20-12-46)35-55(41-53)62(57)74-30-26-70-6-2/h9-24,33-40H,5-8,25-32,41-44H2,1-4H3
InChIKeyHROWGUWIDCIEOI-UHFFFAOYSA-N
XLogP12.27
TPSA125.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001021.27
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-[25,26,27,28-tetrakis(2-ethoxyethoxy)-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[25,26,27,28-tetrakis(2-ethoxyethoxy)-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]pyridine?
The IUPAC name of 4-[25,26,27,28-tetrakis(2-ethoxyethoxy)-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]pyridine (CID 10534052) is 4-[25,26,27,28-tetrakis(2-ethoxyethoxy)-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]pyridine.
What is the SMILES notation for 4-[25,26,27,28-tetrakis(2-ethoxyethoxy)-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]pyridine?
The canonical SMILES for 4-[25,26,27,28-tetrakis(2-ethoxyethoxy)-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]pyridine is CCOCCOc1c2cc(-c3ccncc3)cc1Cc1cc(-c3ccncc3)cc(c1OCCOCC)Cc1cc(-c3ccncc3)cc(c1OCCOCC)Cc1cc(-c3ccncc3)cc(c1OCCOCC)C2.
What is the InChIKey of 4-[25,26,27,28-tetrakis(2-ethoxyethoxy)-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]pyridine?
The InChIKey is HROWGUWIDCIEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H68N4O8/c1-5-69-25-29-73-61-53-33-49(45-9-17-65-18-10-45)34-54(61)42-56-36-51(47-13-21-67-22-14-47)38-58(63(56)75-31-27-71-7-3)44-60-40-52(48-15-23-68-24-16-48)39-59(64(60)76-32-28-72-8-4)43-57-37-50(46-11-19-66-20-12-46)35-55(41-53)62(57)74-30-26-70-6-2/h9-24,33-40H,5-8,25-32,41-44H2,1-4H3.
What are the key properties of 4-[25,26,27,28-tetrakis(2-ethoxyethoxy)-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]pyridine?
4-[25,26,27,28-tetrakis(2-ethoxyethoxy)-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]pyridine has a molecular weight of 1021.27 g/mol, XLogP of 12.27, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[25,26,27,28-tetrakis(2-ethoxyethoxy)-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]pyridine is sourced from PubChem (CID 10534052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).