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

C36H27N — CID 146376227

IUPAC12,12,28,28-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
SMILESCC1(C)c2ccccc2-c2c1ccc1c2c2cccc3c4c5c(ccc4n1c23)-c1ccccc1C5(C)C
InChIInChI=1S/C36H27N/c1-35(2)26-15-8-6-11-22(26)30-27(35)17-19-28-31(30)23-12-9-13-24-32-29(37(28)34(23)24)18-16-21-20-10-5-7-14-25(20)36(3,4)33(21)32/h5-19H,1-4H3
InChIKeyUBICDXIMGXZXNE-UHFFFAOYSA-N
MW473.62 g/mol
LogP9.45
Rot. Bonds

About 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

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 (PubChem CID 146376227) has the molecular formula C36H27N and a molecular weight of 473.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12,12,28,28-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
PubChem CID146376227
Molecular FormulaC36H27N
Molecular Weight473.62 g/mol
Exact Mass473.21
IUPAC Name12,12,28,28-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
SMILESCC1(C)c2ccccc2-c2c1ccc1c2c2cccc3c4c5c(ccc4n1c23)-c1ccccc1C5(C)C
InChIInChI=1S/C36H27N/c1-35(2)26-15-8-6-11-22(26)30-27(35)17-19-28-31(30)23-12-9-13-24-32-29(37(28)34(23)24)18-16-21-20-10-5-7-14-25(20)36(3,4)33(21)32/h5-19H,1-4H3
InChIKeyUBICDXIMGXZXNE-UHFFFAOYSA-N
XLogP9.45
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

28,28-dimethyl-12-phenyl-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 146376237
12,12,22,22-tetramethyl-8-[(11,23,23-trimethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15,17,19(33),20,22(30),24,26,28,31-pentadecaen-11-yl)methyl]-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(11),7,9,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene
CID 146526383
10,18-bis(11,11-dimethylbenzo[b]fluoren-10-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene
CID 146376340
14,14,36,36-tetramethyl-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene
CID 138745246
4,4-dimethyl-22λ6-thia-15-azaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene 22,22-dioxide
CID 71241827
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
3-(9,9-dimethylfluoren-2-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 146370145
9-(3-carbazol-9-ylphenyl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-carbazol-9-ylphenyl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-(3-carbazol-9-ylphenyl)-7,7-dimethylindeno[1,2-a]carbazole;12-(4-carbazol-9-ylphenyl)-7,7-dimethylindeno[1,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;5-(4-carbazol-9-ylphenyl)-10,10-dimethylindeno[1,2-b]indole;5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 161134121
9-dibenzothiophen-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-2-yl-12,12-dimethylindeno[1,2-c]carbazole
CID 157181487
21,21,31,31-tetramethyl-3-phenyl-3,26-diazaundecacyclo[24.13.1.02,10.04,9.012,40.013,25.014,22.015,20.027,39.030,38.032,37]tetraconta-1,4,6,8,10,12(40),13(25),14(22),15,17,19,23,27(39),28,30(38),32,34,36-octadecaene
CID 146376435
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
14,14-dimethyl-9-(1,3,5-triazin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-(1,3,5-triazin-2-yl)indeno[1,2-a]carbazole;7,7-dimethyl-5-(1,3,5-triazin-2-yl)indeno[2,1-b]carbazole;12,12-dimethyl-5-(1,3,5-triazin-2-yl)indeno[1,2-c]carbazole
CID 160620108

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2c1ccc1c2c2cccc3c4c5c(ccc4n1c23)-c1ccccc1C5(C)C.
What is the InChIKey of 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?
The InChIKey is UBICDXIMGXZXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N/c1-35(2)26-15-8-6-11-22(26)30-27(35)17-19-28-31(30)23-12-9-13-24-32-29(37(28)34(23)24)18-16-21-20-10-5-7-14-25(20)36(3,4)33(21)32/h5-19H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 473.62 g/mol, XLogP of 9.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146376227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).