2-(19-pyridin-2-yl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-yl)pyridine

C32H18N2O2 — CID 58411157

IUPAC2-(19-pyridin-2-yl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-yl)pyridine
SMILESc1ccc(-c2cc3c(ccc4c3ccc3c5ccc6oc(-c7ccccn7)cc6c5ccc43)o2)nc1
InChIInChI=1S/C32H18N2O2/c1-3-15-33-27(5-1)31-17-25-23-9-7-20-19(21(23)11-13-29(25)35-31)8-10-24-22(20)12-14-30-26(24)18-32(36-30)28-6-2-4-16-34-28/h1-18H
InChIKeyQLXDHIHEUNAADE-UHFFFAOYSA-N
MW462.51 g/mol
LogP8.76
Rot. Bonds2

About 2-(19-pyridin-2-yl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-yl)pyridine

2-(19-pyridin-2-yl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-yl)pyridine (PubChem CID 58411157) has the molecular formula C32H18N2O2 and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-(19-pyridin-2-yl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-yl)pyridine.

Molecular Properties

Compound Name2-(19-pyridin-2-yl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-yl)pyridine
PubChem CID58411157
Molecular FormulaC32H18N2O2
Molecular Weight462.51 g/mol
Exact Mass462.14
IUPAC Name2-(19-pyridin-2-yl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-yl)pyridine
SMILESc1ccc(-c2cc3c(ccc4c3ccc3c5ccc6oc(-c7ccccn7)cc6c5ccc43)o2)nc1
InChIInChI=1S/C32H18N2O2/c1-3-15-33-27(5-1)31-17-25-23-9-7-20-19(21(23)11-13-29(25)35-31)8-10-24-22(20)12-14-30-26(24)18-32(36-30)28-6-2-4-16-34-28/h1-18H
InChIKeyQLXDHIHEUNAADE-UHFFFAOYSA-N
XLogP8.76
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.51
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(19-pyridin-2-yl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-yl)pyridine with MolForge

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Related Compounds

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11-[2-(4-Methylpiperazin-1-yl)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
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Frequently Asked Questions

What is the IUPAC name of 2-(19-pyridin-2-yl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-yl)pyridine?
The IUPAC name of 2-(19-pyridin-2-yl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-yl)pyridine (CID 58411157) is 2-(19-pyridin-2-yl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-yl)pyridine.
What is the SMILES notation for 2-(19-pyridin-2-yl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-yl)pyridine?
The canonical SMILES for 2-(19-pyridin-2-yl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-yl)pyridine is c1ccc(-c2cc3c(ccc4c3ccc3c5ccc6oc(-c7ccccn7)cc6c5ccc43)o2)nc1.
What is the InChIKey of 2-(19-pyridin-2-yl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-yl)pyridine?
The InChIKey is QLXDHIHEUNAADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N2O2/c1-3-15-33-27(5-1)31-17-25-23-9-7-20-19(21(23)11-13-29(25)35-31)8-10-24-22(20)12-14-30-26(24)18-32(36-30)28-6-2-4-16-34-28/h1-18H.
What are the key properties of 2-(19-pyridin-2-yl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-yl)pyridine?
2-(19-pyridin-2-yl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-yl)pyridine has a molecular weight of 462.51 g/mol, XLogP of 8.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(19-pyridin-2-yl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaen-7-yl)pyridine is sourced from PubChem (CID 58411157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).