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

C25H15NO2 — CID 153291342

IUPAC7-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
SMILESOc1ccc2c(oc3ccc4c5ccccc5ccc4c32)c1-c1ccccn1
InChIInChI=1S/C25H15NO2/c27-21-12-10-19-23-18-9-8-15-5-1-2-6-16(15)17(18)11-13-22(23)28-25(19)24(21)20-7-3-4-14-26-20/h1-14,27H
InChIKeyZDAVUYZFIDELTN-UHFFFAOYSA-N
MW361.40 g/mol
LogP6.66
Rot. Bonds1

About 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

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 (PubChem CID 153291342) has the molecular formula C25H15NO2 and a molecular weight of 361.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID153291342
Molecular FormulaC25H15NO2
Molecular Weight361.40 g/mol
Exact Mass361.11
IUPAC Name7-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
SMILESOc1ccc2c(oc3ccc4c5ccccc5ccc4c32)c1-c1ccccn1
InChIInChI=1S/C25H15NO2/c27-21-12-10-19-23-18-9-8-15-5-1-2-6-16(15)17(18)11-13-22(23)28-25(19)24(21)20-7-3-4-14-26-20/h1-14,27H
InChIKeyZDAVUYZFIDELTN-UHFFFAOYSA-N
XLogP6.66
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)naphthalen-2-ol
CID 135429338
1-methyl-2-(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-7-yl)imidazole
CID 176787685
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
2-benzo[a]anthracen-7-ylpyridine
CID 154825161
2-(3-methyldibenzofuran-4-yl)pyridine
CID 118074682
2-(22-pyridin-2-yl-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl)pyridine
CID 58738539
chrysene-3,4-diol
CID 23622151
2-[10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran-5-yl]pyridine
CID 134487557
16-oxaheptacyclo[15.12.0.02,15.03,12.04,9.018,27.019,24]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18(27),19,21,23,25,28-tetradecaene
CID 118131021
2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-7-yl)pyridine
CID 176787817
10-pyridin-2-ylphenanthren-9-ol
CID 135973428

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Oc1ccc2c(oc3ccc4c5ccccc5ccc4c32)c1-c1ccccn1.
What is the InChIKey of 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?
The InChIKey is ZDAVUYZFIDELTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15NO2/c27-21-12-10-19-23-18-9-8-15-5-1-2-6-16(15)17(18)11-13-22(23)28-25(19)24(21)20-7-3-4-14-26-20/h1-14,27H.
What are the key properties of 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?
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 has a molecular weight of 361.40 g/mol, XLogP of 6.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153291342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).