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

C33H21NO — CID 146376197

IUPAC30,30-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
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1c2c(cc4c5ccccc5n3c41)oc1ccccc12
InChIInChI=1S/C33H21NO/c1-33(2)23-12-6-3-9-18(23)20-15-16-25-29(31(20)33)30-28-21-11-5-8-14-26(21)35-27(28)17-22-19-10-4-7-13-24(19)34(25)32(22)30/h3-17H,1-2H3
InChIKeyXPFYPLZYXRWCAI-UHFFFAOYSA-N
MW447.54 g/mol
LogP9.04
Rot. Bonds

About 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

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 (PubChem CID 146376197) has the molecular formula C33H21NO and a molecular weight of 447.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name30,30-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
PubChem CID146376197
Molecular FormulaC33H21NO
Molecular Weight447.54 g/mol
Exact Mass447.16
IUPAC Name30,30-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
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1c2c(cc4c5ccccc5n3c41)oc1ccccc12
InChIInChI=1S/C33H21NO/c1-33(2)23-12-6-3-9-18(23)20-15-16-25-29(31(20)33)30-28-21-11-5-8-14-26(21)35-27(28)17-22-19-10-4-7-13-24(19)34(25)32(22)30/h3-17H,1-2H3
InChIKeyXPFYPLZYXRWCAI-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 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 with MolForge

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Related Compounds

28,28-dimethyl-16-oxa-1-azanonacyclo[17.13.1.02,7.08,33.09,17.010,15.020,32.021,29.022,27]tritriaconta-2,4,6,8(33),9(17),10,12,14,18,20(32),21(29),22,24,26,30-pentadecaene
CID 146376463
17-[4-(9,9-dimethylfluoren-1-yl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-26-oxa-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene
CID 169058264
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
9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)carbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)carbazole
CID 160530149
22-[5-[4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-26-oxa-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 169058418
12,12,28,28-tetramethyl-1-azanonacyclo[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 146376227
11,11,33-trimethyl-21,33-diazanonacyclo[19.10.1.113,16.02,14.04,12.05,10.015,20.022,27.028,32]tritriaconta-1(31),2,4(12),5,7,9,13,15,17,19,22,24,26,28(32),29-pentadecaene
CID 157173756
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
6-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-10-(9,9-dimethylfluoren-1-yl)anthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 155334874
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 118502372

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc3c(c21)c1c2c(cc4c5ccccc5n3c41)oc1ccccc12.
What is the InChIKey of 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?
The InChIKey is XPFYPLZYXRWCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21NO/c1-33(2)23-12-6-3-9-18(23)20-15-16-25-29(31(20)33)30-28-21-11-5-8-14-26(21)35-27(28)17-22-19-10-4-7-13-24(19)34(25)32(22)30/h3-17H,1-2H3.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 146376197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).