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

C33H21NO — CID 146375845

IUPAC29,29-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
SMILESCC1(C)c2ccccc2-c2cc3c4cccc5c6cc7oc8ccccc8c7cc6n(c3cc21)c45
InChIInChI=1S/C33H21NO/c1-33(2)26-12-5-3-8-18(26)22-14-23-20-10-7-11-21-24-16-31-25(19-9-4-6-13-30(19)35-31)15-28(24)34(32(20)21)29(23)17-27(22)33/h3-17H,1-2H3
InChIKeyZWBFLDNYUNEUEA-UHFFFAOYSA-N
MW447.54 g/mol
LogP9.04
Rot. Bonds

About 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

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 (PubChem CID 146375845) has the molecular formula C33H21NO and a molecular weight of 447.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name29,29-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
PubChem CID146375845
Molecular FormulaC33H21NO
Molecular Weight447.54 g/mol
Exact Mass447.16
IUPAC Name29,29-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
SMILESCC1(C)c2ccccc2-c2cc3c4cccc5c6cc7oc8ccccc8c7cc6n(c3cc21)c45
InChIInChI=1S/C33H21NO/c1-33(2)26-12-5-3-8-18(26)22-14-23-20-10-7-11-21-24-16-31-25(19-9-4-6-13-30(19)35-31)15-28(24)34(32(20)21)29(23)17-27(22)33/h3-17H,1-2H3
InChIKeyZWBFLDNYUNEUEA-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-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 with MolForge

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Related Compounds

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
8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223761
2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907201
5,29-dioxa-1-azanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,6,8,10,12,15(33),16,18,20(32),21,23,25,27,30-pentadecaene;6,28-dioxa-1-azanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),7,9,11,15(33),16,18,20(32),21(29),22,24,26,30-pentadecaene;11,23-dioxa-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2(14),3,5,7,9,12,15(33),16,18,20(32),21,24,26,28,30-pentadecaene;12,22-dioxa-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.023,28]tritriaconta-2(14),3,5(13),6,8,10,15(33),16,18,20(32),21(29),23,25,27,30-pentadecaene;5,29-dithia-1-azanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,6,8,10,12,15(33),16,18,20(32),21,23,25,27,30-pentadecaene;6,28-dithia-1-azanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),7,9,11,15(33),16,18,20(32),21(29),22,24,26,30-pentadecaene;5,5,29,29-tetramethyl-1-azanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2,4(12),6,8,10,13,15(33),16,18,20,22(30),23,25,27,31-pentadecaene;6,6,28,28-tetramethyl-1-azanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),7,9,11,15(33),16,18,20(32),21(29),22,24,26,30-pentadecaene
CID 164956907
10-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223345
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
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.029,34]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene
CID 147097625
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
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
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427406

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc3c4cccc5c6cc7oc8ccccc8c7cc6n(c3cc21)c45.
What is the InChIKey of 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?
The InChIKey is ZWBFLDNYUNEUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21NO/c1-33(2)26-12-5-3-8-18(26)22-14-23-20-10-7-11-21-24-16-31-25(19-9-4-6-13-30(19)35-31)15-28(24)34(32(20)21)29(23)17-27(22)33/h3-17H,1-2H3.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 146375845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).