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

C25H15NO — CID 176787817

IUPAC2-(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
SMILESc1ccc(-c2ccc3c(c2)oc2cc4c(ccc5ccccc54)cc23)nc1
InChIInChI=1S/C25H15NO/c1-2-6-19-16(5-1)8-9-17-13-22-20-11-10-18(23-7-3-4-12-26-23)14-24(20)27-25(22)15-21(17)19/h1-15H
InChIKeyHSDWKDXTOPQATO-UHFFFAOYSA-N
MW345.40 g/mol
LogP6.95
Rot. Bonds1

About 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

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 (PubChem CID 176787817) has the molecular formula C25H15NO and a molecular weight of 345.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID176787817
Molecular FormulaC25H15NO
Molecular Weight345.40 g/mol
Exact Mass345.12
IUPAC Name2-(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
SMILESc1ccc(-c2ccc3c(c2)oc2cc4c(ccc5ccccc54)cc23)nc1
InChIInChI=1S/C25H15NO/c1-2-6-19-16(5-1)8-9-17-13-22-20-11-10-18(23-7-3-4-12-26-23)14-24(20)27-25(22)15-21(17)19/h1-15H
InChIKeyHSDWKDXTOPQATO-UHFFFAOYSA-N
XLogP6.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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CID 126621737
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3c(c2)oc2cc4c(ccc5ccccc54)cc23)nc1.
What is the InChIKey of 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?
The InChIKey is HSDWKDXTOPQATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15NO/c1-2-6-19-16(5-1)8-9-17-13-22-20-11-10-18(23-7-3-4-12-26-23)14-24(20)27-25(22)15-21(17)19/h1-15H.
What are the key properties of 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?
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 has a molecular weight of 345.40 g/mol, XLogP of 6.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176787817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).