12-phenyl-28-oxa-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene

C36H20N2O — CID 146376489

IUPAC12-phenyl-28-oxa-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5cccc6c7c8c(ccc7n4c65)oc4ccccc48)c32)cc1
InChIInChI=1S/C36H20N2O/c1-2-9-21(10-3-1)37-27-15-6-4-11-22(27)23-17-18-29-33(36(23)37)26-14-8-13-25-32-28(38(29)35(25)26)19-20-31-34(32)24-12-5-7-16-30(24)39-31/h1-20H
InChIKeyZMHVALFLNFKKMU-UHFFFAOYSA-N
MW496.57 g/mol
LogP9.83
Rot. Bonds1

About 12-phenyl-28-oxa-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene

12-phenyl-28-oxa-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene (PubChem CID 146376489) has the molecular formula C36H20N2O and a molecular weight of 496.57 g/mol. Its IUPAC name is 12-phenyl-28-oxa-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene.

Molecular Properties

Compound Name12-phenyl-28-oxa-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene
PubChem CID146376489
Molecular FormulaC36H20N2O
Molecular Weight496.57 g/mol
Exact Mass496.16
IUPAC Name12-phenyl-28-oxa-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5cccc6c7c8c(ccc7n4c65)oc4ccccc48)c32)cc1
InChIInChI=1S/C36H20N2O/c1-2-9-21(10-3-1)37-27-15-6-4-11-22(27)23-17-18-29-33(36(23)37)26-14-8-13-25-32-28(38(29)35(25)26)19-20-31-34(32)24-12-5-7-16-30(24)39-31/h1-20H
InChIKeyZMHVALFLNFKKMU-UHFFFAOYSA-N
XLogP9.83
TPSA22.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-phenyl-28-oxa-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene with MolForge

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Related Compounds

15,24-diphenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene
CID 126679108
12-phenyl-26-oxa-2,12,21-triazaundecacyclo[19.17.1.12,16.03,15.05,13.06,11.022,34.025,33.027,32.035,39.020,40]tetraconta-1(38),3(15),4,6,8,10,13,16(40),17,19,22(34),23,25(33),27,29,31,35(39),36-octadecaene
CID 171595274
3-phenyl-25-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
CID 126737864
16,38-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(45),2,4(24),6(18),7,9(17),10,12,14,19,21,23(46),25,28(40),29,31(39),32,34,36,41,43-henicosaene
CID 146512233
10-phenyl-34-oxa-1,10,20-triazaundecacyclo[19.17.1.12,13.03,11.04,9.014,19.025,39.026,38.027,35.028,33.020,40]tetraconta-2(40),3(11),4,6,8,12,14,16,18,21,23,25(39),26(38),27(35),28,30,32,36-octadecaene
CID 171595288
15,24-diphenyl-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 126679131
12-dibenzofuran-1-yl-5-phenylindolo[3,2-c]carbazole
CID 167029676
31-phenyl-20,31-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.024,32.025,30.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22,24(32),25,27,29,34,36-octadecaene
CID 159287578
15-phenanthren-9-yl-18-phenyl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
CID 126680088
16,38-di(dibenzofuran-2-yl)-3,25-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene
CID 146497436
15-fluoranthen-8-yl-4-phenyl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126678050
4-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 140957310

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-28-oxa-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene?
The IUPAC name of 12-phenyl-28-oxa-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene (CID 146376489) is 12-phenyl-28-oxa-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene.
What is the SMILES notation for 12-phenyl-28-oxa-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene?
The canonical SMILES for 12-phenyl-28-oxa-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene is c1ccc(-n2c3ccccc3c3ccc4c(c5cccc6c7c8c(ccc7n4c65)oc4ccccc48)c32)cc1.
What is the InChIKey of 12-phenyl-28-oxa-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene?
The InChIKey is ZMHVALFLNFKKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N2O/c1-2-9-21(10-3-1)37-27-15-6-4-11-22(27)23-17-18-29-33(36(23)37)26-14-8-13-25-32-28(38(29)35(25)26)19-20-31-34(32)24-12-5-7-16-30(24)39-31/h1-20H.
What are the key properties of 12-phenyl-28-oxa-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene?
12-phenyl-28-oxa-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene has a molecular weight of 496.57 g/mol, XLogP of 9.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-28-oxa-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene is sourced from PubChem (CID 146376489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).