2-(19-pyridin-2-yl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaen-7-yl)pyridine

C32H18N2O2 — CID 58411500

IUPAC2-(19-pyridin-2-yl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaen-7-yl)pyridine
SMILESc1ccc(-c2cc3ccc4c5ccc6c(ccc7cc(-c8ccccn8)oc76)c5ccc4c3o2)nc1
InChIInChI=1S/C32H18N2O2/c1-3-15-33-27(5-1)29-17-19-7-9-23-21-12-14-26-24(22(21)11-13-25(23)31(19)35-29)10-8-20-18-30(36-32(20)26)28-6-2-4-16-34-28/h1-18H
InChIKeyJWRMZKWHXRANMZ-UHFFFAOYSA-N
MW462.51 g/mol
LogP8.76
Rot. Bonds2

About 2-(19-pyridin-2-yl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaen-7-yl)pyridine

2-(19-pyridin-2-yl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaen-7-yl)pyridine (PubChem CID 58411500) has the molecular formula C32H18N2O2 and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-(19-pyridin-2-yl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaen-7-yl)pyridine.

Molecular Properties

Compound Name2-(19-pyridin-2-yl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaen-7-yl)pyridine
PubChem CID58411500
Molecular FormulaC32H18N2O2
Molecular Weight462.51 g/mol
Exact Mass462.14
IUPAC Name2-(19-pyridin-2-yl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaen-7-yl)pyridine
SMILESc1ccc(-c2cc3ccc4c5ccc6c(ccc7cc(-c8ccccn8)oc76)c5ccc4c3o2)nc1
InChIInChI=1S/C32H18N2O2/c1-3-15-33-27(5-1)29-17-19-7-9-23-21-12-14-26-24(22(21)11-13-25(23)31(19)35-29)10-8-20-18-30(36-32(20)26)28-6-2-4-16-34-28/h1-18H
InChIKeyJWRMZKWHXRANMZ-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-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaen-7-yl)pyridine with MolForge

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Related Compounds

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7-pyridin-2-yl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-6-ol
CID 153291342
bis(21-pyridin-2-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-ol);zinc
CID 153291339
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CID 140596360
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bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;rhenium;tetrachloride
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2-pyridin-2-ylpyridine;dihydroiodide
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Frequently Asked Questions

What is the IUPAC name of 2-(19-pyridin-2-yl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaen-7-yl)pyridine?
The IUPAC name of 2-(19-pyridin-2-yl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaen-7-yl)pyridine (CID 58411500) is 2-(19-pyridin-2-yl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaen-7-yl)pyridine.
What is the SMILES notation for 2-(19-pyridin-2-yl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaen-7-yl)pyridine?
The canonical SMILES for 2-(19-pyridin-2-yl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaen-7-yl)pyridine is c1ccc(-c2cc3ccc4c5ccc6c(ccc7cc(-c8ccccn8)oc76)c5ccc4c3o2)nc1.
What is the InChIKey of 2-(19-pyridin-2-yl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaen-7-yl)pyridine?
The InChIKey is JWRMZKWHXRANMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N2O2/c1-3-15-33-27(5-1)29-17-19-7-9-23-21-12-14-26-24(22(21)11-13-25(23)31(19)35-29)10-8-20-18-30(36-32(20)26)28-6-2-4-16-34-28/h1-18H.
What are the key properties of 2-(19-pyridin-2-yl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaen-7-yl)pyridine?
2-(19-pyridin-2-yl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-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-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaen-7-yl)pyridine is sourced from PubChem (CID 58411500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).