29,29-dimethyl-3-oxa-19-azanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),4,6,8,11,13,15,17,20,22(30),23,25,27,31-pentadecaene

C33H21NO — CID 146376220

IUPAC29,29-dimethyl-3-oxa-19-azanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),4,6,8,11,13,15,17,20,22(30),23,25,27,31-pentadecaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1c2oc4ccccc4c2cc2c4ccccc4n3c21
InChIInChI=1S/C33H21NO/c1-33(2)25-12-6-3-9-18(25)21-17-28-24(16-26(21)33)30-31-22(19-10-4-7-13-27(19)34(28)31)15-23-20-11-5-8-14-29(20)35-32(23)30/h3-17H,1-2H3
InChIKeyYEGMNGABSDZZME-UHFFFAOYSA-N
MW447.54 g/mol
LogP9.04
Rot. Bonds

About 29,29-dimethyl-3-oxa-19-azanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),4,6,8,11,13,15,17,20,22(30),23,25,27,31-pentadecaene

29,29-dimethyl-3-oxa-19-azanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),4,6,8,11,13,15,17,20,22(30),23,25,27,31-pentadecaene (PubChem CID 146376220) has the molecular formula C33H21NO and a molecular weight of 447.54 g/mol. Its IUPAC name is 29,29-dimethyl-3-oxa-19-azanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),4,6,8,11,13,15,17,20,22(30),23,25,27,31-pentadecaene.

Molecular Properties

Compound Name29,29-dimethyl-3-oxa-19-azanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),4,6,8,11,13,15,17,20,22(30),23,25,27,31-pentadecaene
PubChem CID146376220
Molecular FormulaC33H21NO
Molecular Weight447.54 g/mol
Exact Mass447.16
IUPAC Name29,29-dimethyl-3-oxa-19-azanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),4,6,8,11,13,15,17,20,22(30),23,25,27,31-pentadecaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1c2oc4ccccc4c2cc2c4ccccc4n3c21
InChIInChI=1S/C33H21NO/c1-33(2)25-12-6-3-9-18(25)21-17-28-24(16-26(21)33)30-31-22(19-10-4-7-13-27(19)34(28)31)15-23-20-11-5-8-14-29(20)35-32(23)30/h3-17H,1-2H3
InChIKeyYEGMNGABSDZZME-UHFFFAOYSA-N
XLogP9.04
TPSA17.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 29,29-dimethyl-3-oxa-19-azanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),4,6,8,11,13,15,17,20,22(30),23,25,27,31-pentadecaene with MolForge

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Related Compounds

26,26-dimethyl-1-azaoctacyclo[14.13.1.02,7.08,30.010,15.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17,19(27),20,22,24,28-tetradecaene
CID 146376501
11,11,23,23-tetramethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15(33),16,18,20,22(30),24,26,28,31-pentadecaene
CID 146376476
3,29-dioxa-19-azanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),4,6,8,11,13,15,17,20(32),21,23,25,27,30-pentadecaene;9,29-dioxa-19-azanonacyclo[17.13.1.02,10.03,8.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),3,5,7,11,13,15,17,20(32),21,23,25,27,30-pentadecaene;10,23-dioxa-1-azanonacyclo[17.13.1.02,7.08,33.09,17.011,16.020,32.022,30.024,29]tritriaconta-2,4,6,8,11,13,15,17,19(33),20(32),21,24,26,28,30-pentadecaene;16,23-dioxa-1-azanonacyclo[17.13.1.02,7.08,33.09,17.010,15.020,32.022,30.024,29]tritriaconta-2,4,6,8(33),9(17),10,12,14,18,20(32),21,24,26,28,30-pentadecaene
CID 159284825
1,27,30,40-tetramethyl-7,17-dioxa-35-azatridecacyclo[38.2.2.227,30.15,35.02,38.04,36.06,21.08,20.010,18.011,16.024,34.026,32.023,45]heptatetraconta-2(38),3,5(45),6(21),8(20),9,11,13,15,18,22,24,26(32),33,36-pentadecaene-31,39-dione
CID 167124729
17-oxa-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaen-5-ol
CID 148945291
29,29-dimethyl-11-oxa-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,5,7,9,12,15,17,19(33),20,22(30),23,25,27,31-pentadecaene
CID 146375845
18-dibenzofuran-3-yl-12,12,24,24-tetramethyl-1-azanonacyclo[18.14.1.02,15.04,13.06,11.016,35.021,34.023,32.025,30]pentatriaconta-2,4(13),6,8,10,14,16,18,20(35),21,23(32),25,27,29,33-pentadecaene-5,31-dione
CID 164528448
30,30-dimethyl-9-oxa-19-azanonacyclo[17.13.1.02,10.03,8.012,33.013,18.020,32.023,31.024,29]tritriaconta-1(33),2(10),3,5,7,11,13,15,17,20(32),21,23(31),24,26,28-pentadecaene
CID 146376197
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280215
15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 118545892
5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 126656421
5-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 169014938

Frequently Asked Questions

What is the IUPAC name of 29,29-dimethyl-3-oxa-19-azanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),4,6,8,11,13,15,17,20,22(30),23,25,27,31-pentadecaene?
The IUPAC name of 29,29-dimethyl-3-oxa-19-azanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),4,6,8,11,13,15,17,20,22(30),23,25,27,31-pentadecaene (CID 146376220) is 29,29-dimethyl-3-oxa-19-azanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),4,6,8,11,13,15,17,20,22(30),23,25,27,31-pentadecaene.
What is the SMILES notation for 29,29-dimethyl-3-oxa-19-azanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),4,6,8,11,13,15,17,20,22(30),23,25,27,31-pentadecaene?
The canonical SMILES for 29,29-dimethyl-3-oxa-19-azanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),4,6,8,11,13,15,17,20,22(30),23,25,27,31-pentadecaene is CC1(C)c2ccccc2-c2cc3c(cc21)c1c2oc4ccccc4c2cc2c4ccccc4n3c21.
What is the InChIKey of 29,29-dimethyl-3-oxa-19-azanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),4,6,8,11,13,15,17,20,22(30),23,25,27,31-pentadecaene?
The InChIKey is YEGMNGABSDZZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21NO/c1-33(2)25-12-6-3-9-18(25)21-17-28-24(16-26(21)33)30-31-22(19-10-4-7-13-27(19)34(28)31)15-23-20-11-5-8-14-29(20)35-32(23)30/h3-17H,1-2H3.
What are the key properties of 29,29-dimethyl-3-oxa-19-azanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),4,6,8,11,13,15,17,20,22(30),23,25,27,31-pentadecaene?
29,29-dimethyl-3-oxa-19-azanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),4,6,8,11,13,15,17,20,22(30),23,25,27,31-pentadecaene has a molecular weight of 447.54 g/mol, XLogP of 9.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 29,29-dimethyl-3-oxa-19-azanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),4,6,8,11,13,15,17,20,22(30),23,25,27,31-pentadecaene is sourced from PubChem (CID 146376220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).