15-oxa-20,22-diazaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene

C22H10N2O — CID 177271348

IUPAC15-oxa-20,22-diazaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene
SMILESc1cc2c3c(c1)ccc1ccc4oc5ccc6ncnc-2c6c5c4c13
InChIInChI=1S/C22H10N2O/c1-2-11-4-5-12-6-8-15-20-18(12)17(11)13(3-1)22-19-14(23-10-24-22)7-9-16(25-15)21(19)20/h1-10H
InChIKeyCWKSMQJRCBELSO-UHFFFAOYSA-N
MW318.33 g/mol
LogP5.82
Rot. Bonds

About 15-oxa-20,22-diazaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene

15-oxa-20,22-diazaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene (PubChem CID 177271348) has the molecular formula C22H10N2O and a molecular weight of 318.33 g/mol. Its IUPAC name is 15-oxa-20,22-diazaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene.

Molecular Properties

Compound Name15-oxa-20,22-diazaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene
PubChem CID177271348
Molecular FormulaC22H10N2O
Molecular Weight318.33 g/mol
Exact Mass318.08
IUPAC Name15-oxa-20,22-diazaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene
SMILESc1cc2c3c(c1)ccc1ccc4oc5ccc6ncnc-2c6c5c4c13
InChIInChI=1S/C22H10N2O/c1-2-11-4-5-12-6-8-15-20-18(12)17(11)13(3-1)22-19-14(23-10-24-22)7-9-16(25-15)21(19)20/h1-10H
InChIKeyCWKSMQJRCBELSO-UHFFFAOYSA-N
XLogP5.82
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.33
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 15-oxa-20,22-diazaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene with MolForge

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Related Compounds

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CID 177472934
4,20-dinaphthalen-1-yl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene
CID 58461828
2-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)phenazine
CID 166041138
10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline
CID 146301042
1-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-f]quinoline
CID 174296320
3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene
CID 58122097
2-[3-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134430151
2-(9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-5-yl)-6-phenylpyridine
CID 164962191
10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline
CID 146301174
6-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
CID 164749311
2-[4-(9-oxahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164845501
1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran
CID 129100193

Frequently Asked Questions

What is the IUPAC name of 15-oxa-20,22-diazaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene?
The IUPAC name of 15-oxa-20,22-diazaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene (CID 177271348) is 15-oxa-20,22-diazaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene.
What is the SMILES notation for 15-oxa-20,22-diazaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene?
The canonical SMILES for 15-oxa-20,22-diazaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene is c1cc2c3c(c1)ccc1ccc4oc5ccc6ncnc-2c6c5c4c13.
What is the InChIKey of 15-oxa-20,22-diazaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene?
The InChIKey is CWKSMQJRCBELSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10N2O/c1-2-11-4-5-12-6-8-15-20-18(12)17(11)13(3-1)22-19-14(23-10-24-22)7-9-16(25-15)21(19)20/h1-10H.
What are the key properties of 15-oxa-20,22-diazaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene?
15-oxa-20,22-diazaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene has a molecular weight of 318.33 g/mol, XLogP of 5.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-oxa-20,22-diazaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene is sourced from PubChem (CID 177271348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).