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

C48H36N4O4 — CID 15514514

IUPAC2-[(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
SMILESc1ccc(Oc2c3cccc2Cc2cccc(c2Oc2ccccn2)Cc2cccc(c2Oc2ccccn2)Cc2cccc(c2Oc2ccccn2)C3)nc1
InChIInChI=1S/C48H36N4O4/c1-5-25-49-41(21-1)53-45-33-13-9-14-34(45)30-36-16-11-18-38(47(36)55-43-23-3-7-27-51-43)32-40-20-12-19-39(48(40)56-44-24-4-8-28-52-44)31-37-17-10-15-35(29-33)46(37)54-42-22-2-6-26-50-42/h1-28H,29-32H2
InChIKeyWXWIUEARILMAMY-UHFFFAOYSA-N
MW732.84 g/mol
LogP11.11
Rot. Bonds8

About 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

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 (PubChem CID 15514514) has the molecular formula C48H36N4O4 and a molecular weight of 732.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID15514514
Molecular FormulaC48H36N4O4
Molecular Weight732.84 g/mol
Exact Mass732.27
IUPAC Name2-[(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
SMILESc1ccc(Oc2c3cccc2Cc2cccc(c2Oc2ccccn2)Cc2cccc(c2Oc2ccccn2)Cc2cccc(c2Oc2ccccn2)C3)nc1
InChIInChI=1S/C48H36N4O4/c1-5-25-49-41(21-1)53-45-33-13-9-14-34(45)30-36-16-11-18-38(47(36)55-43-23-3-7-27-51-43)32-40-20-12-19-39(48(40)56-44-24-4-8-28-52-44)31-37-17-10-15-35(29-33)46(37)54-42-22-2-6-26-50-42/h1-28H,29-32H2
InChIKeyWXWIUEARILMAMY-UHFFFAOYSA-N
XLogP11.11
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.84
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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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
4-[[9-(Pyridin-4-ylmethyl)xanthen-9-yl]methyl]pyridine
CID 15678632
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
Tetrakis[(2-pyridylmethyl)oxy]calix[4]arene
CID 15163580
4-Phenoxyphenyl(RS)-2-(pyridyloxy)propylether
CID 22020265
3-[[9-(Pyridin-3-ylmethyl)xanthen-9-yl]methyl]pyridine
CID 15678631
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CID 19606084
5-[(2-Fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)chromeno[2,3-b]pyridine
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2-[2-(3-Benzyl-4-fluorophenyl)-5-(2-pyridin-3-yloxyphenyl)phenoxy]pyridine
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5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[4-[2-[4-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridin-2-yl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]pyridine
CID 57968013

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(Oc2c3cccc2Cc2cccc(c2Oc2ccccn2)Cc2cccc(c2Oc2ccccn2)Cc2cccc(c2Oc2ccccn2)C3)nc1.
What is the InChIKey of 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?
The InChIKey is WXWIUEARILMAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N4O4/c1-5-25-49-41(21-1)53-45-33-13-9-14-34(45)30-36-16-11-18-38(47(36)55-43-23-3-7-27-51-43)32-40-20-12-19-39(48(40)56-44-24-4-8-28-52-44)31-37-17-10-15-35(29-33)46(37)54-42-22-2-6-26-50-42/h1-28H,29-32H2.
What are the key properties of 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?
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 has a molecular weight of 732.84 g/mol, XLogP of 11.11, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 15514514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).