19-pyridin-2-yl-8,21-dioxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene

C25H14N2O2 — CID 176749054

IUPAC19-pyridin-2-yl-8,21-dioxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene
SMILESc1ccc(-c2cccc3c2oc2c3c3cccc4c3n2-c2ccccc2O4)nc1
InChIInChI=1S/C25H14N2O2/c1-2-12-20-19(11-1)27-23-16(8-6-13-21(23)28-20)22-17-9-5-7-15(24(17)29-25(22)27)18-10-3-4-14-26-18/h1-14H
InChIKeyXDDKKUSAHVIBEK-UHFFFAOYSA-N
MW374.40 g/mol
LogP6.70
Rot. Bonds1

About 19-pyridin-2-yl-8,21-dioxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene

19-pyridin-2-yl-8,21-dioxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene (PubChem CID 176749054) has the molecular formula C25H14N2O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 19-pyridin-2-yl-8,21-dioxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene.

Molecular Properties

Compound Name19-pyridin-2-yl-8,21-dioxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene
PubChem CID176749054
Molecular FormulaC25H14N2O2
Molecular Weight374.40 g/mol
Exact Mass374.11
IUPAC Name19-pyridin-2-yl-8,21-dioxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene
SMILESc1ccc(-c2cccc3c2oc2c3c3cccc4c3n2-c2ccccc2O4)nc1
InChIInChI=1S/C25H14N2O2/c1-2-12-20-19(11-1)27-23-16(8-6-13-21(23)28-20)22-17-9-5-7-15(24(17)29-25(22)27)18-10-3-4-14-26-18/h1-14H
InChIKeyXDDKKUSAHVIBEK-UHFFFAOYSA-N
XLogP6.70
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.40
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 19-pyridin-2-yl-8,21-dioxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene with MolForge

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Related Compounds

2-dibenzofuran-4-ylpyridine
CID 59500175
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CID 140770325
2,4-di(propan-2-yl)-8-pyridin-2-yl-[1]benzofuro[2,3-d]pyrimidine
CID 147893106
6-(4-carbazol-9-ylnaphthalen-1-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795483
4-pyridin-2-ylxanthen-9-one
CID 167260109
8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridine-4-carbonitrile
CID 154615719
8-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine
CID 171721165
1-(6-dibenzofuran-4-yl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole
CID 140902322
2-(6,8-diethyldibenzofuran-4-yl)pyridine
CID 176637470
1-fluoro-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 170250799
3-(3-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795494
2-[6-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162707082

Frequently Asked Questions

What is the IUPAC name of 19-pyridin-2-yl-8,21-dioxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene?
The IUPAC name of 19-pyridin-2-yl-8,21-dioxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene (CID 176749054) is 19-pyridin-2-yl-8,21-dioxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene.
What is the SMILES notation for 19-pyridin-2-yl-8,21-dioxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene?
The canonical SMILES for 19-pyridin-2-yl-8,21-dioxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene is c1ccc(-c2cccc3c2oc2c3c3cccc4c3n2-c2ccccc2O4)nc1.
What is the InChIKey of 19-pyridin-2-yl-8,21-dioxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene?
The InChIKey is XDDKKUSAHVIBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14N2O2/c1-2-12-20-19(11-1)27-23-16(8-6-13-21(23)28-20)22-17-9-5-7-15(24(17)29-25(22)27)18-10-3-4-14-26-18/h1-14H.
What are the key properties of 19-pyridin-2-yl-8,21-dioxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene?
19-pyridin-2-yl-8,21-dioxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene has a molecular weight of 374.40 g/mol, XLogP of 6.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 19-pyridin-2-yl-8,21-dioxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene is sourced from PubChem (CID 176749054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).