4-(25,26,27-trimethoxy-15,23-dipyridin-4-yl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13,15,17(26),21(25),22-nonaen-7-yl)pyridine

C42H39N3O6 — CID 15369230

IUPAC4-(25,26,27-trimethoxy-15,23-dipyridin-4-yl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13,15,17(26),21(25),22-nonaen-7-yl)pyridine
SMILESCOc1c2cc(-c3ccncc3)cc1COCc1cc(-c3ccncc3)cc(c1OC)COCc1cc(-c3ccncc3)cc(c1OC)COC2
InChIInChI=1S/C42H39N3O6/c1-46-40-34-16-31(28-4-10-43-11-5-28)17-35(40)23-50-25-37-19-33(30-8-14-45-15-9-30)21-39(42(37)48-3)27-51-26-38-20-32(29-6-12-44-13-7-29)18-36(24-49-22-34)41(38)47-2/h4-21H,22-27H2,1-3H3
InChIKeyFMSAPOUIHMBGNB-UHFFFAOYSA-N
MW681.79 g/mol
LogP8.36
Rot. Bonds6

About 4-(25,26,27-trimethoxy-15,23-dipyridin-4-yl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13,15,17(26),21(25),22-nonaen-7-yl)pyridine

4-(25,26,27-trimethoxy-15,23-dipyridin-4-yl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13,15,17(26),21(25),22-nonaen-7-yl)pyridine (PubChem CID 15369230) has the molecular formula C42H39N3O6 and a molecular weight of 681.79 g/mol. Its IUPAC name is 4-(25,26,27-trimethoxy-15,23-dipyridin-4-yl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13,15,17(26),21(25),22-nonaen-7-yl)pyridine.

Molecular Properties

Compound Name4-(25,26,27-trimethoxy-15,23-dipyridin-4-yl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13,15,17(26),21(25),22-nonaen-7-yl)pyridine
PubChem CID15369230
Molecular FormulaC42H39N3O6
Molecular Weight681.79 g/mol
Exact Mass681.28
IUPAC Name4-(25,26,27-trimethoxy-15,23-dipyridin-4-yl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13,15,17(26),21(25),22-nonaen-7-yl)pyridine
SMILESCOc1c2cc(-c3ccncc3)cc1COCc1cc(-c3ccncc3)cc(c1OC)COCc1cc(-c3ccncc3)cc(c1OC)COC2
InChIInChI=1S/C42H39N3O6/c1-46-40-34-16-31(28-4-10-43-11-5-28)17-35(40)23-50-25-37-19-33(30-8-14-45-15-9-30)21-39(42(37)48-3)27-51-26-38-20-32(29-6-12-44-13-7-29)18-36(24-49-22-34)41(38)47-2/h4-21H,22-27H2,1-3H3
InChIKeyFMSAPOUIHMBGNB-UHFFFAOYSA-N
XLogP8.36
TPSA94.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.79
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-(25,26,27-trimethoxy-15,23-dipyridin-4-yl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13,15,17(26),21(25),22-nonaen-7-yl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(25,26,27-trimethoxy-15,23-dipyridin-4-yl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13,15,17(26),21(25),22-nonaen-7-yl)pyridine?
The IUPAC name of 4-(25,26,27-trimethoxy-15,23-dipyridin-4-yl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13,15,17(26),21(25),22-nonaen-7-yl)pyridine (CID 15369230) is 4-(25,26,27-trimethoxy-15,23-dipyridin-4-yl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13,15,17(26),21(25),22-nonaen-7-yl)pyridine.
What is the SMILES notation for 4-(25,26,27-trimethoxy-15,23-dipyridin-4-yl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13,15,17(26),21(25),22-nonaen-7-yl)pyridine?
The canonical SMILES for 4-(25,26,27-trimethoxy-15,23-dipyridin-4-yl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13,15,17(26),21(25),22-nonaen-7-yl)pyridine is COc1c2cc(-c3ccncc3)cc1COCc1cc(-c3ccncc3)cc(c1OC)COCc1cc(-c3ccncc3)cc(c1OC)COC2.
What is the InChIKey of 4-(25,26,27-trimethoxy-15,23-dipyridin-4-yl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13,15,17(26),21(25),22-nonaen-7-yl)pyridine?
The InChIKey is FMSAPOUIHMBGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H39N3O6/c1-46-40-34-16-31(28-4-10-43-11-5-28)17-35(40)23-50-25-37-19-33(30-8-14-45-15-9-30)21-39(42(37)48-3)27-51-26-38-20-32(29-6-12-44-13-7-29)18-36(24-49-22-34)41(38)47-2/h4-21H,22-27H2,1-3H3.
What are the key properties of 4-(25,26,27-trimethoxy-15,23-dipyridin-4-yl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13,15,17(26),21(25),22-nonaen-7-yl)pyridine?
4-(25,26,27-trimethoxy-15,23-dipyridin-4-yl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13,15,17(26),21(25),22-nonaen-7-yl)pyridine has a molecular weight of 681.79 g/mol, XLogP of 8.36, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(25,26,27-trimethoxy-15,23-dipyridin-4-yl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13,15,17(26),21(25),22-nonaen-7-yl)pyridine is sourced from PubChem (CID 15369230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).