4-oxa-1,25,32-triazanonacyclo[17.14.1.02,18.03,11.05,10.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),5,7,9,12,14,16,19(34),20,22,24,26,28,30,32-hexadecaene

C30H15N3O — CID 118930657

IUPAC4-oxa-1,25,32-triazanonacyclo[17.14.1.02,18.03,11.05,10.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),5,7,9,12,14,16,19(34),20,22,24,26,28,30,32-hexadecaene
SMILESc1ccc2nc3c(nc2c1)c1cccc2c4c5ccccc5c5c6ccccc6oc5c4n3c12
InChIInChI=1S/C30H15N3O/c1-2-9-17-16(8-1)24-19-11-7-12-20-26-30(32-22-14-5-4-13-21(22)31-26)33(27(19)20)28(24)29-25(17)18-10-3-6-15-23(18)34-29/h1-15H
InChIKeyGWMSGDGTFSDLDL-UHFFFAOYSA-N
MW433.47 g/mol
LogP7.83
Rot. Bonds

About 4-oxa-1,25,32-triazanonacyclo[17.14.1.02,18.03,11.05,10.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),5,7,9,12,14,16,19(34),20,22,24,26,28,30,32-hexadecaene

4-oxa-1,25,32-triazanonacyclo[17.14.1.02,18.03,11.05,10.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),5,7,9,12,14,16,19(34),20,22,24,26,28,30,32-hexadecaene (PubChem CID 118930657) has the molecular formula C30H15N3O and a molecular weight of 433.47 g/mol. Its IUPAC name is 4-oxa-1,25,32-triazanonacyclo[17.14.1.02,18.03,11.05,10.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),5,7,9,12,14,16,19(34),20,22,24,26,28,30,32-hexadecaene.

Molecular Properties

Compound Name4-oxa-1,25,32-triazanonacyclo[17.14.1.02,18.03,11.05,10.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),5,7,9,12,14,16,19(34),20,22,24,26,28,30,32-hexadecaene
PubChem CID118930657
Molecular FormulaC30H15N3O
Molecular Weight433.47 g/mol
Exact Mass433.12
IUPAC Name4-oxa-1,25,32-triazanonacyclo[17.14.1.02,18.03,11.05,10.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),5,7,9,12,14,16,19(34),20,22,24,26,28,30,32-hexadecaene
SMILESc1ccc2nc3c(nc2c1)c1cccc2c4c5ccccc5c5c6ccccc6oc5c4n3c12
InChIInChI=1S/C30H15N3O/c1-2-9-17-16(8-1)24-19-11-7-12-20-26-30(32-22-14-5-4-13-21(22)31-26)33(27(19)20)28(24)29-25(17)18-10-3-6-15-23(18)34-29/h1-15H
InChIKeyGWMSGDGTFSDLDL-UHFFFAOYSA-N
XLogP7.83
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.47
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-oxa-1,25,32-triazanonacyclo[17.14.1.02,18.03,11.05,10.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),5,7,9,12,14,16,19(34),20,22,24,26,28,30,32-hexadecaene with MolForge

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Related Compounds

14-naphthalen-1-yl-27-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20(28),21,23,25-tetradecaene
CID 129092420
6-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene
CID 129092434
10-oxa-1,21,32-triazanonacyclo[17.14.1.02,14.03,11.04,9.015,34.020,33.022,31.025,30]tetratriaconta-2(14),3(11),4,6,8,12,15(34),16,18,20,22(31),23,25,27,29,32-hexadecaene
CID 129092594
15-dibenzofuran-2-yl-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene
CID 126577892
18-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 126577861
9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
CID 129128192
11-oxa-1,21,32-triazanonacyclo[17.14.1.02,14.04,12.05,10.015,34.020,33.022,31.024,29]tetratriaconta-2(14),3,5,7,9,12,15(34),16,18,20,22,24,26,28,30,32-hexadecaene
CID 129092585
6-phenyl-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene
CID 129092418
16-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene
CID 126577933
[1]benzofuro[3,2-b]quinolin-11-amine
CID 143056669
24-naphthalen-1-yl-20-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,21(26),22,24,27-tetradecaene
CID 129092614
23-phenyl-20-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,21(26),22,24,27-tetradecaene
CID 118615738

Frequently Asked Questions

What is the IUPAC name of 4-oxa-1,25,32-triazanonacyclo[17.14.1.02,18.03,11.05,10.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),5,7,9,12,14,16,19(34),20,22,24,26,28,30,32-hexadecaene?
The IUPAC name of 4-oxa-1,25,32-triazanonacyclo[17.14.1.02,18.03,11.05,10.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),5,7,9,12,14,16,19(34),20,22,24,26,28,30,32-hexadecaene (CID 118930657) is 4-oxa-1,25,32-triazanonacyclo[17.14.1.02,18.03,11.05,10.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),5,7,9,12,14,16,19(34),20,22,24,26,28,30,32-hexadecaene.
What is the SMILES notation for 4-oxa-1,25,32-triazanonacyclo[17.14.1.02,18.03,11.05,10.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),5,7,9,12,14,16,19(34),20,22,24,26,28,30,32-hexadecaene?
The canonical SMILES for 4-oxa-1,25,32-triazanonacyclo[17.14.1.02,18.03,11.05,10.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),5,7,9,12,14,16,19(34),20,22,24,26,28,30,32-hexadecaene is c1ccc2nc3c(nc2c1)c1cccc2c4c5ccccc5c5c6ccccc6oc5c4n3c12.
What is the InChIKey of 4-oxa-1,25,32-triazanonacyclo[17.14.1.02,18.03,11.05,10.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),5,7,9,12,14,16,19(34),20,22,24,26,28,30,32-hexadecaene?
The InChIKey is GWMSGDGTFSDLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H15N3O/c1-2-9-17-16(8-1)24-19-11-7-12-20-26-30(32-22-14-5-4-13-21(22)31-26)33(27(19)20)28(24)29-25(17)18-10-3-6-15-23(18)34-29/h1-15H.
What are the key properties of 4-oxa-1,25,32-triazanonacyclo[17.14.1.02,18.03,11.05,10.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),5,7,9,12,14,16,19(34),20,22,24,26,28,30,32-hexadecaene?
4-oxa-1,25,32-triazanonacyclo[17.14.1.02,18.03,11.05,10.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),5,7,9,12,14,16,19(34),20,22,24,26,28,30,32-hexadecaene has a molecular weight of 433.47 g/mol, XLogP of 7.83, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxa-1,25,32-triazanonacyclo[17.14.1.02,18.03,11.05,10.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),5,7,9,12,14,16,19(34),20,22,24,26,28,30,32-hexadecaene is sourced from PubChem (CID 118930657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).