2-[24-(1,2-dihydropyridin-2-yl)-11,18-bis(1,2-dihydropyridin-6-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine

C44H34N4O2 — CID 118861048

IUPAC2-[24-(1,2-dihydropyridin-2-yl)-11,18-bis(1,2-dihydropyridin-6-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine
SMILESC1=CCNC(c2ccc3c(c2)Oc2cc(-c4ccccn4)ccc2-c2ccc(C4C=CC=CN4)cc2Oc2cc(C4=CC=CCN4)ccc2-3)=C1
InChIInChI=1S/C44H34N4O2/c1-5-21-45-37(9-1)29-13-17-33-34-18-14-31(39-11-3-7-23-47-39)27-43(34)50-44-28-32(40-12-4-8-24-48-40)16-20-36(44)35-19-15-30(38-10-2-6-22-46-38)26-42(35)49-41(33)25-29/h1-21,23,25-28,37,45-46,48H,22,24H2
InChIKeyIYUSRUHSWBTRBT-UHFFFAOYSA-N
MW650.78 g/mol
LogP9.70
Rot. Bonds4

About 2-[24-(1,2-dihydropyridin-2-yl)-11,18-bis(1,2-dihydropyridin-6-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine

2-[24-(1,2-dihydropyridin-2-yl)-11,18-bis(1,2-dihydropyridin-6-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine (PubChem CID 118861048) has the molecular formula C44H34N4O2 and a molecular weight of 650.78 g/mol. Its IUPAC name is 2-[24-(1,2-dihydropyridin-2-yl)-11,18-bis(1,2-dihydropyridin-6-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine.

Molecular Properties

Compound Name2-[24-(1,2-dihydropyridin-2-yl)-11,18-bis(1,2-dihydropyridin-6-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine
PubChem CID118861048
Molecular FormulaC44H34N4O2
Molecular Weight650.78 g/mol
Exact Mass650.27
IUPAC Name2-[24-(1,2-dihydropyridin-2-yl)-11,18-bis(1,2-dihydropyridin-6-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine
SMILESC1=CCNC(c2ccc3c(c2)Oc2cc(-c4ccccn4)ccc2-c2ccc(C4C=CC=CN4)cc2Oc2cc(C4=CC=CCN4)ccc2-3)=C1
InChIInChI=1S/C44H34N4O2/c1-5-21-45-37(9-1)29-13-17-33-34-18-14-31(39-11-3-7-23-47-39)27-43(34)50-44-28-32(40-12-4-8-24-48-40)16-20-36(44)35-19-15-30(38-10-2-6-22-46-38)26-42(35)49-41(33)25-29/h1-21,23,25-28,37,45-46,48H,22,24H2
InChIKeyIYUSRUHSWBTRBT-UHFFFAOYSA-N
XLogP9.70
TPSA67.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 59.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[24-(1,2-dihydropyridin-2-yl)-11,18-bis(1,2-dihydropyridin-6-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine with MolForge

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Related Compounds

2-[11-(1,2-dihydropyridin-6-yl)-18,24-diphenyl-8,21-dithiapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine
CID 118860842
4-[24-(1,2-dihydropyridin-6-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-1,2-dihydropyridine
CID 118860622
2-[7-[5-(1,2-dihydropyridin-2-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine
CID 130312566
2-(1,2-dihydropyridin-2-yl)-6-(1,2-dihydropyridin-6-yl)-4-(3-fluoranthen-3-ylphenyl)pyridine
CID 126746442
2-[3-(1,2-dihydropyridin-6-yl)-5-triphenylen-2-ylphenyl]pyridine
CID 146359971
2-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,2-dihydropyrimidine
CID 130184177
2-[5-(1,2-dihydropyridin-2-yl)-3-pyridinyl]-6-[11-[6-(5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]triphenylen-2-yl]pyridine
CID 130312575
2-[3-(1,2-dihydropyridin-6-yl)-6,8-dipyridin-2-ylpyren-1-yl]pyridine
CID 89294796
2-[11-(2-phenyl-1,2-dihydropyridin-6-yl)-8,21-dithiapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9(14),10,12,15,17,19,22,24-dodecaen-5-yl]pyridine
CID 118860988
7-[4-[4-[3-(1,2-dihydropyridin-6-yl)-5-pyridin-2-ylphenyl]phenyl]phenyl]benzo[b][1,10]phenanthroline
CID 134559457
2-[24-(1,2-dihydropyridin-6-yl)-8,21-dithiapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]pyrazine
CID 118861162
4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]pyridine
CID 118861117

Frequently Asked Questions

What is the IUPAC name of 2-[24-(1,2-dihydropyridin-2-yl)-11,18-bis(1,2-dihydropyridin-6-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine?
The IUPAC name of 2-[24-(1,2-dihydropyridin-2-yl)-11,18-bis(1,2-dihydropyridin-6-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine (CID 118861048) is 2-[24-(1,2-dihydropyridin-2-yl)-11,18-bis(1,2-dihydropyridin-6-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine.
What is the SMILES notation for 2-[24-(1,2-dihydropyridin-2-yl)-11,18-bis(1,2-dihydropyridin-6-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine?
The canonical SMILES for 2-[24-(1,2-dihydropyridin-2-yl)-11,18-bis(1,2-dihydropyridin-6-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine is C1=CCNC(c2ccc3c(c2)Oc2cc(-c4ccccn4)ccc2-c2ccc(C4C=CC=CN4)cc2Oc2cc(C4=CC=CCN4)ccc2-3)=C1.
What is the InChIKey of 2-[24-(1,2-dihydropyridin-2-yl)-11,18-bis(1,2-dihydropyridin-6-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine?
The InChIKey is IYUSRUHSWBTRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N4O2/c1-5-21-45-37(9-1)29-13-17-33-34-18-14-31(39-11-3-7-23-47-39)27-43(34)50-44-28-32(40-12-4-8-24-48-40)16-20-36(44)35-19-15-30(38-10-2-6-22-46-38)26-42(35)49-41(33)25-29/h1-21,23,25-28,37,45-46,48H,22,24H2.
What are the key properties of 2-[24-(1,2-dihydropyridin-2-yl)-11,18-bis(1,2-dihydropyridin-6-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine?
2-[24-(1,2-dihydropyridin-2-yl)-11,18-bis(1,2-dihydropyridin-6-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine has a molecular weight of 650.78 g/mol, XLogP of 9.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[24-(1,2-dihydropyridin-2-yl)-11,18-bis(1,2-dihydropyridin-6-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine is sourced from PubChem (CID 118861048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).