23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene

C32H15N3O — CID 132526373

IUPAC23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene
SMILESc1ccc2c(c1)c1[nH]c3ccc4oc5ccc6[nH]c7c8ccccc8c8[nH]c2c2c1c3c4c5c6c7c82
InChIInChI=1S/C32H15N3O/c1-3-7-15-13(5-1)29-25-21-17(33-29)9-11-19-23(21)24-20(36-19)12-10-18-22(24)26-28-27(25)31(15)35-32(28)16-8-4-2-6-14(16)30(26)34-18/h1-12,33-35H
InChIKeyBIAYWPWIUDJSQR-UHFFFAOYSA-N
MW457.49 g/mol
LogP9.11
Rot. Bonds

About 23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene

23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene (PubChem CID 132526373) has the molecular formula C32H15N3O and a molecular weight of 457.49 g/mol. Its IUPAC name is 23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene.

Molecular Properties

Compound Name23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene
PubChem CID132526373
Molecular FormulaC32H15N3O
Molecular Weight457.49 g/mol
Exact Mass457.12
IUPAC Name23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene
SMILESc1ccc2c(c1)c1[nH]c3ccc4oc5ccc6[nH]c7c8ccccc8c8[nH]c2c2c1c3c4c5c6c7c82
InChIInChI=1S/C32H15N3O/c1-3-7-15-13(5-1)29-25-21-17(33-29)9-11-19-23(21)24-20(36-19)12-10-18-22(24)26-28-27(25)31(15)35-32(28)16-8-4-2-6-14(16)30(26)34-18/h1-12,33-35H
InChIKeyBIAYWPWIUDJSQR-UHFFFAOYSA-N
XLogP9.11
TPSA60.51 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.49
LogP ≤ 59.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene?
The IUPAC name of 23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene (CID 132526373) is 23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene.
What is the SMILES notation for 23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene?
The canonical SMILES for 23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene is c1ccc2c(c1)c1[nH]c3ccc4oc5ccc6[nH]c7c8ccccc8c8[nH]c2c2c1c3c4c5c6c7c82.
What is the InChIKey of 23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene?
The InChIKey is BIAYWPWIUDJSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H15N3O/c1-3-7-15-13(5-1)29-25-21-17(33-29)9-11-19-23(21)24-20(36-19)12-10-18-22(24)26-28-27(25)31(15)35-32(28)16-8-4-2-6-14(16)30(26)34-18/h1-12,33-35H.
What are the key properties of 23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene?
23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene has a molecular weight of 457.49 g/mol, XLogP of 9.11, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene is sourced from PubChem (CID 132526373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).