8-oxa-24-azapentacyclo[19.3.1.02,7.06,10.09,14]pentacosa-1(24),2,4,6,9(14),10,12,21(25),22-nonaene

C23H21NO — CID 134572439

IUPAC8-oxa-24-azapentacyclo[19.3.1.02,7.06,10.09,14]pentacosa-1(24),2,4,6,9(14),10,12,21(25),22-nonaene
SMILESc1cc2c3oc4c(cccc4c3c1)-c1cc(ccn1)CCCCCC2
InChIInChI=1S/C23H21NO/c1-2-4-8-17-9-5-10-18-19-11-6-12-20(23(19)25-22(17)18)21-15-16(7-3-1)13-14-24-21/h5-6,9-15H,1-4,7-8H2
InChIKeyMKPAMNUSVNUIFT-UHFFFAOYSA-N
MW327.43 g/mol
LogP6.31
Rot. Bonds

About 8-oxa-24-azapentacyclo[19.3.1.02,7.06,10.09,14]pentacosa-1(24),2,4,6,9(14),10,12,21(25),22-nonaene

8-oxa-24-azapentacyclo[19.3.1.02,7.06,10.09,14]pentacosa-1(24),2,4,6,9(14),10,12,21(25),22-nonaene (PubChem CID 134572439) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 8-oxa-24-azapentacyclo[19.3.1.02,7.06,10.09,14]pentacosa-1(24),2,4,6,9(14),10,12,21(25),22-nonaene.

Molecular Properties

Compound Name8-oxa-24-azapentacyclo[19.3.1.02,7.06,10.09,14]pentacosa-1(24),2,4,6,9(14),10,12,21(25),22-nonaene
PubChem CID134572439
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name8-oxa-24-azapentacyclo[19.3.1.02,7.06,10.09,14]pentacosa-1(24),2,4,6,9(14),10,12,21(25),22-nonaene
SMILESc1cc2c3oc4c(cccc4c3c1)-c1cc(ccn1)CCCCCC2
InChIInChI=1S/C23H21NO/c1-2-4-8-17-9-5-10-18-19-11-6-12-20(23(19)25-22(17)18)21-15-16(7-3-1)13-14-24-21/h5-6,9-15H,1-4,7-8H2
InChIKeyMKPAMNUSVNUIFT-UHFFFAOYSA-N
XLogP6.31
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-oxa-24-azapentacyclo[19.3.1.02,7.06,10.09,14]pentacosa-1(24),2,4,6,9(14),10,12,21(25),22-nonaene with MolForge

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Related Compounds

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2-(6-methyldibenzofuran-4-yl)-4-phenylpyridine
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4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
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1-(2-dibenzofuran-4-yl-4-pyridinyl)-4-methylpiperazine
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2-dibenzofuran-4-yl-4-propan-2-ylpyridine
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4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
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4-(2-phenylpropan-2-yl)-2-(6-propan-2-yldibenzofuran-4-yl)pyridine
CID 162708532
2-dibenzofuran-4-ylpyridine
CID 59500175
2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine
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Frequently Asked Questions

What is the IUPAC name of 8-oxa-24-azapentacyclo[19.3.1.02,7.06,10.09,14]pentacosa-1(24),2,4,6,9(14),10,12,21(25),22-nonaene?
The IUPAC name of 8-oxa-24-azapentacyclo[19.3.1.02,7.06,10.09,14]pentacosa-1(24),2,4,6,9(14),10,12,21(25),22-nonaene (CID 134572439) is 8-oxa-24-azapentacyclo[19.3.1.02,7.06,10.09,14]pentacosa-1(24),2,4,6,9(14),10,12,21(25),22-nonaene.
What is the SMILES notation for 8-oxa-24-azapentacyclo[19.3.1.02,7.06,10.09,14]pentacosa-1(24),2,4,6,9(14),10,12,21(25),22-nonaene?
The canonical SMILES for 8-oxa-24-azapentacyclo[19.3.1.02,7.06,10.09,14]pentacosa-1(24),2,4,6,9(14),10,12,21(25),22-nonaene is c1cc2c3oc4c(cccc4c3c1)-c1cc(ccn1)CCCCCC2.
What is the InChIKey of 8-oxa-24-azapentacyclo[19.3.1.02,7.06,10.09,14]pentacosa-1(24),2,4,6,9(14),10,12,21(25),22-nonaene?
The InChIKey is MKPAMNUSVNUIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-2-4-8-17-9-5-10-18-19-11-6-12-20(23(19)25-22(17)18)21-15-16(7-3-1)13-14-24-21/h5-6,9-15H,1-4,7-8H2.
What are the key properties of 8-oxa-24-azapentacyclo[19.3.1.02,7.06,10.09,14]pentacosa-1(24),2,4,6,9(14),10,12,21(25),22-nonaene?
8-oxa-24-azapentacyclo[19.3.1.02,7.06,10.09,14]pentacosa-1(24),2,4,6,9(14),10,12,21(25),22-nonaene has a molecular weight of 327.43 g/mol, XLogP of 6.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-24-azapentacyclo[19.3.1.02,7.06,10.09,14]pentacosa-1(24),2,4,6,9(14),10,12,21(25),22-nonaene is sourced from PubChem (CID 134572439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).