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

C30H15N3O — CID 129092594

IUPAC10-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
SMILESc1ccc2c(c1)ccc1nc3c4cccc5c6ccc7oc8ccccc8c7c6n(c3nc12)c54
InChIInChI=1S/C30H15N3O/c1-2-7-17-16(6-1)12-14-22-26(17)32-30-27(31-22)21-10-5-9-18-19-13-15-24-25(29(19)33(30)28(18)21)20-8-3-4-11-23(20)34-24/h1-15H
InChIKeyWCVJMOFYPDYTBH-UHFFFAOYSA-N
MW433.47 g/mol
LogP7.83
Rot. Bonds

About 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

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 (PubChem CID 129092594) has the molecular formula C30H15N3O and a molecular weight of 433.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-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
PubChem CID129092594
Molecular FormulaC30H15N3O
Molecular Weight433.47 g/mol
Exact Mass433.12
IUPAC Name10-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
SMILESc1ccc2c(c1)ccc1nc3c4cccc5c6ccc7oc8ccccc8c7c6n(c3nc12)c54
InChIInChI=1S/C30H15N3O/c1-2-7-17-16(6-1)12-14-22-26(17)32-30-27(31-22)21-10-5-9-18-19-13-15-24-25(29(19)33(30)28(18)21)20-8-3-4-11-23(20)34-24/h1-15H
InChIKeyWCVJMOFYPDYTBH-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

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
33-(3-phenylbenzo[h]quinoxalin-2-yl)-22-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.023,28]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,23,25,27,29-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-23-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.022,30.024,29]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22(30),24,26,28-pentadecaene;33-(3-phenylbenzo[h]quinoxalin-2-yl)-28-oxa-1,33-diazanonacyclo[16.13.1.16,9.02,7.08,13.014,32.019,31.021,29.022,27]tritriaconta-2,4,6,8(13),9,11,14(32),15,17,19(31),20,22,24,26,29-pentadecaene
CID 159718376
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
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
2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 9184
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
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
22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 178088617
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
14-naphthalen-2-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19,21,23,27-tetradecaene;21-naphthalen-1-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19(24),20,22,27-tetradecaene;21-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19(24),20,22,27-tetradecaene
CID 157071967
28-oxa-13-thia-2,9-diazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.027,35.029,34]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,27(35),29,31,33-hexadecaene
CID 140956592

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)ccc1nc3c4cccc5c6ccc7oc8ccccc8c7c6n(c3nc12)c54.
What is the InChIKey of 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?
The InChIKey is WCVJMOFYPDYTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H15N3O/c1-2-7-17-16(6-1)12-14-22-26(17)32-30-27(31-22)21-10-5-9-18-19-13-15-24-25(29(19)33(30)28(18)21)20-8-3-4-11-23(20)34-24/h1-15H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 129092594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).