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

C31H18N2O — CID 163419651

IUPAC15-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
SMILESC1=CC2=Cc3c(n4c5cc6c(cc5c5cccc3c54)oc3ccc4ccccc4c36)NC2C=C1
InChIInChI=1S/C31H18N2O/c1-3-8-19-17(6-1)12-13-27-29(19)24-15-26-22(16-28(24)34-27)20-9-5-10-21-23-14-18-7-2-4-11-25(18)32-31(23)33(26)30(20)21/h1-16,25,32H
InChIKeyGMHRTELBZWVTEO-UHFFFAOYSA-N
MW434.50 g/mol
LogP8.04
Rot. Bonds

About 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

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 (PubChem CID 163419651) has the molecular formula C31H18N2O and a molecular weight of 434.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15-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
PubChem CID163419651
Molecular FormulaC31H18N2O
Molecular Weight434.50 g/mol
Exact Mass434.14
IUPAC Name15-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
SMILESC1=CC2=Cc3c(n4c5cc6c(cc5c5cccc3c54)oc3ccc4ccccc4c36)NC2C=C1
InChIInChI=1S/C31H18N2O/c1-3-8-19-17(6-1)12-13-27-29(19)24-15-26-22(16-28(24)34-27)20-9-5-10-21-23-14-18-7-2-4-11-25(18)32-31(23)33(26)30(20)21/h1-16,25,32H
InChIKeyGMHRTELBZWVTEO-UHFFFAOYSA-N
XLogP8.04
TPSA29.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

16-naphthalen-1-yl-27-oxa-10,12-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,13(18),14,16,19(30),20(28),21,23,25-tridecaene
CID 118615345
32-oxa-1,5-diazadodecacyclo[22.17.1.15,16.02,23.04,21.06,15.07,12.028,42.029,41.031,39.033,38.020,43]tritetraconta-2(23),3,6(15),7,9,11,13,16(43),17,19,21,24(42),25,27,29(41),30,33,35,37,39-icosaene
CID 162480265
26-oxa-1-azaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,20,22,24,27-tetradecaene
CID 146376243
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
14-dibenzofuran-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),5,7,9,12,14,16(30),17(29),18,20,22,24,27-tridecaene
CID 118615429
11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene
CID 164966033
32-oxa-20-azanonacyclo[18.10.1.19,12.02,19.04,17.05,10.011,16.021,26.027,31]dotriaconta-1(30),2(19),3,5(10),6,8,11(16),12,14,17,21,23,25,27(31),28-pentadecaene
CID 166096162
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
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
7-methyl-8-phenyl-14-oxa-1,7,9-triazaoctacyclo[16.10.1.02,17.04,15.05,13.06,10.022,29.023,28]nonacosa-2(17),3,5(13),6(10),8,11,15,18,20,22(29),23,25,27-tridecaene
CID 176796326
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
15-(4-phenyl-1,2,3,8a-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.06,11.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene
CID 126700469

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC2=Cc3c(n4c5cc6c(cc5c5cccc3c54)oc3ccc4ccccc4c36)NC2C=C1.
What is the InChIKey of 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?
The InChIKey is GMHRTELBZWVTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N2O/c1-3-8-19-17(6-1)12-13-27-29(19)24-15-26-22(16-28(24)34-27)20-9-5-10-21-23-14-18-7-2-4-11-25(18)32-31(23)33(26)30(20)21/h1-16,25,32H.
What are the key properties of 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?
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 has a molecular weight of 434.50 g/mol, XLogP of 8.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163419651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).