29-oxa-1,3,10-triazanonacyclo[18.13.1.02,11.04,9.012,34.013,18.021,33.022,30.023,28]tetratriaconta-2(11),5,7,12(34),13,15,17,19,21(33),22(30),23,25,27,31-tetradecaene

C30H19N3O — CID 163962040

IUPAC29-oxa-1,3,10-triazanonacyclo[18.13.1.02,11.04,9.012,34.013,18.021,33.022,30.023,28]tetratriaconta-2(11),5,7,12(34),13,15,17,19,21(33),22(30),23,25,27,31-tetradecaene
SMILESC1=CC2Nc3c(n4c5ccc6oc7ccccc7c6c5c5cc6ccccc6c3c54)NC2C=C1
InChIInChI=1S/C30H19N3O/c1-2-8-17-16(7-1)15-19-25-22(13-14-24-26(25)18-9-3-6-12-23(18)34-24)33-29(19)27(17)28-30(33)32-21-11-5-4-10-20(21)31-28/h1-15,20-21,31-32H
InChIKeySIJBVIVMPUNEAG-UHFFFAOYSA-N
MW437.50 g/mol
LogP7.44
Rot. Bonds

About 29-oxa-1,3,10-triazanonacyclo[18.13.1.02,11.04,9.012,34.013,18.021,33.022,30.023,28]tetratriaconta-2(11),5,7,12(34),13,15,17,19,21(33),22(30),23,25,27,31-tetradecaene

29-oxa-1,3,10-triazanonacyclo[18.13.1.02,11.04,9.012,34.013,18.021,33.022,30.023,28]tetratriaconta-2(11),5,7,12(34),13,15,17,19,21(33),22(30),23,25,27,31-tetradecaene (PubChem CID 163962040) has the molecular formula C30H19N3O and a molecular weight of 437.50 g/mol. Its IUPAC name is 29-oxa-1,3,10-triazanonacyclo[18.13.1.02,11.04,9.012,34.013,18.021,33.022,30.023,28]tetratriaconta-2(11),5,7,12(34),13,15,17,19,21(33),22(30),23,25,27,31-tetradecaene.

Molecular Properties

Compound Name29-oxa-1,3,10-triazanonacyclo[18.13.1.02,11.04,9.012,34.013,18.021,33.022,30.023,28]tetratriaconta-2(11),5,7,12(34),13,15,17,19,21(33),22(30),23,25,27,31-tetradecaene
PubChem CID163962040
Molecular FormulaC30H19N3O
Molecular Weight437.50 g/mol
Exact Mass437.15
IUPAC Name29-oxa-1,3,10-triazanonacyclo[18.13.1.02,11.04,9.012,34.013,18.021,33.022,30.023,28]tetratriaconta-2(11),5,7,12(34),13,15,17,19,21(33),22(30),23,25,27,31-tetradecaene
SMILESC1=CC2Nc3c(n4c5ccc6oc7ccccc7c6c5c5cc6ccccc6c3c54)NC2C=C1
InChIInChI=1S/C30H19N3O/c1-2-8-17-16(7-1)15-19-25-22(13-14-24-26(25)18-9-3-6-12-23(18)34-24)33-29(19)27(17)28-30(33)32-21-11-5-4-10-20(21)31-28/h1-15,20-21,31-32H
InChIKeySIJBVIVMPUNEAG-UHFFFAOYSA-N
XLogP7.44
TPSA41.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 57.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 29-oxa-1,3,10-triazanonacyclo[18.13.1.02,11.04,9.012,34.013,18.021,33.022,30.023,28]tetratriaconta-2(11),5,7,12(34),13,15,17,19,21(33),22(30),23,25,27,31-tetradecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,32-dioxa-1-azadecacyclo[21.13.1.02,14.05,13.07,12.015,37.016,21.024,36.025,33.026,31]heptatriaconta-2(14),3,5(13),7,9,11,15(37),16,18,20,22,24(36),25(33),26,28,30,34-heptadecaene
CID 146376238
16-(8,9-dihydrodibenzofuran-3-yl)-27-oxa-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,13(18),14,16,19(30),20(28),21,23,25-dodecaene
CID 144984427
5-phenyl-3-thia-19,21,28-triazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4(9),5,7,11,13,15,17,20(29),23,25-dodecaene
CID 144984555
anthra[2,1-b][1]benzofuran
CID 59403890
20-oxa-1-azaoctacyclo[14.13.1.02,7.08,30.09,14.017,29.019,27.021,26]triaconta-2,4,6,8(30),9,11,13,15,17(29),18,21,23,25,27-tetradecaene
CID 146376253
17-N-cyclohexa-2,4-dien-1-yl-20-phenyl-10-oxa-15-azahexacyclo[13.6.1.02,14.03,11.04,9.018,22]docosa-1(22),2(14),3(11),4,6,8,12,16,18,20-decaene-16,17-diamine
CID 144984706
24-dibenzothiophen-2-yl-3-oxa-19,21,28-triazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),23,25-dodecaene
CID 118616186
10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,20,22(26),23-undecaene
CID 134436853
22-naphthalen-2-yl-26-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2(11),5,7,12,14,16(30),17,19(27),20(25),21,23,28-dodecaene
CID 144984482
15-oxa-1,32-diazanonacyclo[17.14.1.02,18.04,16.05,14.06,11.023,34.024,33.026,31]tetratriaconta-2(18),3,5(14),6,8,10,12,16,19(34),20,22,24(33),25,27,29-pentadecaene
CID 163419651
5-cyclohexyl-4,6-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzene-1,3-dicarbonitrile
CID 139549952
14-ethyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 90350894

Frequently Asked Questions

What is the IUPAC name of 29-oxa-1,3,10-triazanonacyclo[18.13.1.02,11.04,9.012,34.013,18.021,33.022,30.023,28]tetratriaconta-2(11),5,7,12(34),13,15,17,19,21(33),22(30),23,25,27,31-tetradecaene?
The IUPAC name of 29-oxa-1,3,10-triazanonacyclo[18.13.1.02,11.04,9.012,34.013,18.021,33.022,30.023,28]tetratriaconta-2(11),5,7,12(34),13,15,17,19,21(33),22(30),23,25,27,31-tetradecaene (CID 163962040) is 29-oxa-1,3,10-triazanonacyclo[18.13.1.02,11.04,9.012,34.013,18.021,33.022,30.023,28]tetratriaconta-2(11),5,7,12(34),13,15,17,19,21(33),22(30),23,25,27,31-tetradecaene.
What is the SMILES notation for 29-oxa-1,3,10-triazanonacyclo[18.13.1.02,11.04,9.012,34.013,18.021,33.022,30.023,28]tetratriaconta-2(11),5,7,12(34),13,15,17,19,21(33),22(30),23,25,27,31-tetradecaene?
The canonical SMILES for 29-oxa-1,3,10-triazanonacyclo[18.13.1.02,11.04,9.012,34.013,18.021,33.022,30.023,28]tetratriaconta-2(11),5,7,12(34),13,15,17,19,21(33),22(30),23,25,27,31-tetradecaene is C1=CC2Nc3c(n4c5ccc6oc7ccccc7c6c5c5cc6ccccc6c3c54)NC2C=C1.
What is the InChIKey of 29-oxa-1,3,10-triazanonacyclo[18.13.1.02,11.04,9.012,34.013,18.021,33.022,30.023,28]tetratriaconta-2(11),5,7,12(34),13,15,17,19,21(33),22(30),23,25,27,31-tetradecaene?
The InChIKey is SIJBVIVMPUNEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N3O/c1-2-8-17-16(7-1)15-19-25-22(13-14-24-26(25)18-9-3-6-12-23(18)34-24)33-29(19)27(17)28-30(33)32-21-11-5-4-10-20(21)31-28/h1-15,20-21,31-32H.
What are the key properties of 29-oxa-1,3,10-triazanonacyclo[18.13.1.02,11.04,9.012,34.013,18.021,33.022,30.023,28]tetratriaconta-2(11),5,7,12(34),13,15,17,19,21(33),22(30),23,25,27,31-tetradecaene?
29-oxa-1,3,10-triazanonacyclo[18.13.1.02,11.04,9.012,34.013,18.021,33.022,30.023,28]tetratriaconta-2(11),5,7,12(34),13,15,17,19,21(33),22(30),23,25,27,31-tetradecaene has a molecular weight of 437.50 g/mol, XLogP of 7.44, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 29-oxa-1,3,10-triazanonacyclo[18.13.1.02,11.04,9.012,34.013,18.021,33.022,30.023,28]tetratriaconta-2(11),5,7,12(34),13,15,17,19,21(33),22(30),23,25,27,31-tetradecaene is sourced from PubChem (CID 163962040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).