2-[[26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxymethyl]pyridine

C52H44N4O4 — CID 15163580

IUPAC2-[[26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxymethyl]pyridine
SMILESc1ccc(COc2c3cccc2Cc2cccc(c2OCc2ccccn2)Cc2cccc(c2OCc2ccccn2)Cc2cccc(c2OCc2ccccn2)C3)nc1
InChIInChI=1S/C52H44N4O4/c1-5-25-53-45(21-1)33-57-49-37-13-9-14-38(49)30-40-16-11-18-42(51(40)59-35-47-23-3-7-27-55-47)32-44-20-12-19-43(52(44)60-36-48-24-4-8-28-56-48)31-41-17-10-15-39(29-37)50(41)58-34-46-22-2-6-26-54-46/h1-28H,29-36H2
InChIKeyYINGXRDSMFLJAN-UHFFFAOYSA-N
MW788.95 g/mol
LogP10.26
Rot. Bonds12

About 2-[[26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxymethyl]pyridine

2-[[26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxymethyl]pyridine (PubChem CID 15163580) has the molecular formula C52H44N4O4 and a molecular weight of 788.95 g/mol. Its IUPAC name is 2-[[26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxymethyl]pyridine.

Molecular Properties

Compound Name2-[[26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxymethyl]pyridine
PubChem CID15163580
Molecular FormulaC52H44N4O4
Molecular Weight788.95 g/mol
Exact Mass788.34
IUPAC Name2-[[26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxymethyl]pyridine
SMILESc1ccc(COc2c3cccc2Cc2cccc(c2OCc2ccccn2)Cc2cccc(c2OCc2ccccn2)Cc2cccc(c2OCc2ccccn2)C3)nc1
InChIInChI=1S/C52H44N4O4/c1-5-25-53-45(21-1)33-57-49-37-13-9-14-38(49)30-40-16-11-18-42(51(40)59-35-47-23-3-7-27-55-47)32-44-20-12-19-43(52(44)60-36-48-24-4-8-28-56-48)31-41-17-10-15-39(29-37)50(41)58-34-46-22-2-6-26-54-46/h1-28H,29-36H2
InChIKeyYINGXRDSMFLJAN-UHFFFAOYSA-N
XLogP10.26
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.95
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxymethyl]pyridine with MolForge

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Related Compounds

2-{[2-(2-Phenylethyl)phenoxy]methyl}pyridine
CID 11973809
2-[[2-(4-Methoxyphenyl)-4-methylphenoxy]methyl]pyridine
CID 145980993
2-[2-[11,17,23-Tris[2-(diaminomethylideneamino)ethyl]-25,27-dihydroxy-26,28-bis[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxy]-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]ethyl]guanidine
CID 45269030
2-[2-[11,17,23-Tris[2-(diaminomethylideneamino)ethyl]-25,27-dihydroxy-26,28-bis[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]-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]ethyl]guanidine
CID 45273300
5,11,17,23-Tetrakis(2-aminoethyl)-26,28-bis[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]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-dodecaene-25,27-diol
CID 57345624
5,11,17,23-Tetrakis(2-aminoethyl)-26,28-bis[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxy]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-dodecaene-25,27-diol
CID 57400957
3-(Difluoromethoxy)-2-(3-phenylmethoxyphenyl)-6-(pyridin-4-ylmethyl)pyridine
CID 172444886
2-[3-(Difluoromethoxy)phenyl]-3-phenylmethoxy-6-(pyridin-4-ylmethyl)pyridine
CID 172453714
1,3-Bis(trifluoromethyl)benzene-5-ide;bis(copper(1+));2-[[2-(dipyridin-2-ylmethoxy)phenoxy]-pyridin-2-ylmethyl]pyridine;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 168333700
Tetrasodium;[25,27-dihydroxy-11,17,23-tris[hydroxy(oxido)phosphoryl]-26,28-bis[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxy]-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]-hydroxyphosphinate
CID 71594034
2-[[5,11,17,23-Tetratert-butyl-26,27,28-tris(pyridin-2-ylmethoxy)-25-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]oxymethyl]pyridine
CID 15163579
2-[(26,27,28-Tripyridin-2-yloxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)oxy]pyridine
CID 15514514

Frequently Asked Questions

What is the IUPAC name of 2-[[26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxymethyl]pyridine?
The IUPAC name of 2-[[26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxymethyl]pyridine (CID 15163580) is 2-[[26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxymethyl]pyridine.
What is the SMILES notation for 2-[[26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxymethyl]pyridine?
The canonical SMILES for 2-[[26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxymethyl]pyridine is c1ccc(COc2c3cccc2Cc2cccc(c2OCc2ccccn2)Cc2cccc(c2OCc2ccccn2)Cc2cccc(c2OCc2ccccn2)C3)nc1.
What is the InChIKey of 2-[[26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxymethyl]pyridine?
The InChIKey is YINGXRDSMFLJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44N4O4/c1-5-25-53-45(21-1)33-57-49-37-13-9-14-38(49)30-40-16-11-18-42(51(40)59-35-47-23-3-7-27-55-47)32-44-20-12-19-43(52(44)60-36-48-24-4-8-28-56-48)31-41-17-10-15-39(29-37)50(41)58-34-46-22-2-6-26-54-46/h1-28H,29-36H2.
What are the key properties of 2-[[26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxymethyl]pyridine?
2-[[26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxymethyl]pyridine has a molecular weight of 788.95 g/mol, XLogP of 10.26, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxymethyl]pyridine is sourced from PubChem (CID 15163580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).