33,33-dimethyl-1,30-diaza-33-silanonacyclo[28.2.1.02,11.04,9.012,32.013,18.019,31.020,29.022,27]tritriaconta-2,4,6,8,10,12(32),13,15,17,19(31),20,22,24,26,28-pentadecaene

C32H22N2Si — CID 58249880

IUPAC33,33-dimethyl-1,30-diaza-33-silanonacyclo[28.2.1.02,11.04,9.012,32.013,18.019,31.020,29.022,27]tritriaconta-2,4,6,8,10,12(32),13,15,17,19(31),20,22,24,26,28-pentadecaene
SMILESC[Si]1(C)n2c3cc4ccccc4cc3c3c4ccccc4c4c5cc6ccccc6cc5n1c4c32
InChIInChI=1S/C32H22N2Si/c1-35(2)33-27-17-21-11-5-3-9-19(21)15-25(27)29-23-13-7-8-14-24(23)30-26-16-20-10-4-6-12-22(20)18-28(26)34(35)32(30)31(29)33/h3-18H,1-2H3
InChIKeyXITWFTDXVQBSAZ-UHFFFAOYSA-N
MW462.63 g/mol
LogP8.77
Rot. Bonds

About 33,33-dimethyl-1,30-diaza-33-silanonacyclo[28.2.1.02,11.04,9.012,32.013,18.019,31.020,29.022,27]tritriaconta-2,4,6,8,10,12(32),13,15,17,19(31),20,22,24,26,28-pentadecaene

33,33-dimethyl-1,30-diaza-33-silanonacyclo[28.2.1.02,11.04,9.012,32.013,18.019,31.020,29.022,27]tritriaconta-2,4,6,8,10,12(32),13,15,17,19(31),20,22,24,26,28-pentadecaene (PubChem CID 58249880) has the molecular formula C32H22N2Si and a molecular weight of 462.63 g/mol. Its IUPAC name is 33,33-dimethyl-1,30-diaza-33-silanonacyclo[28.2.1.02,11.04,9.012,32.013,18.019,31.020,29.022,27]tritriaconta-2,4,6,8,10,12(32),13,15,17,19(31),20,22,24,26,28-pentadecaene.

Molecular Properties

Compound Name33,33-dimethyl-1,30-diaza-33-silanonacyclo[28.2.1.02,11.04,9.012,32.013,18.019,31.020,29.022,27]tritriaconta-2,4,6,8,10,12(32),13,15,17,19(31),20,22,24,26,28-pentadecaene
PubChem CID58249880
Molecular FormulaC32H22N2Si
Molecular Weight462.63 g/mol
Exact Mass462.16
IUPAC Name33,33-dimethyl-1,30-diaza-33-silanonacyclo[28.2.1.02,11.04,9.012,32.013,18.019,31.020,29.022,27]tritriaconta-2,4,6,8,10,12(32),13,15,17,19(31),20,22,24,26,28-pentadecaene
SMILESC[Si]1(C)n2c3cc4ccccc4cc3c3c4ccccc4c4c5cc6ccccc6cc5n1c4c32
InChIInChI=1S/C32H22N2Si/c1-35(2)33-27-17-21-11-5-3-9-19(21)15-25(27)29-23-13-7-8-14-24(23)30-26-16-20-10-4-6-12-22(20)18-28(26)34(35)32(30)31(29)33/h3-18H,1-2H3
InChIKeyXITWFTDXVQBSAZ-UHFFFAOYSA-N
XLogP8.77
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.63
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 33,33-dimethyl-1,30-diaza-33-silanonacyclo[28.2.1.02,11.04,9.012,32.013,18.019,31.020,29.022,27]tritriaconta-2,4,6,8,10,12(32),13,15,17,19(31),20,22,24,26,28-pentadecaene with MolForge

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Related Compounds

17-azaheptacyclo[15.10.1.02,7.09,28.010,15.018,27.020,25]octacosa-1(28),2,4,6,8,10,12,14,18,20,22,24,26-tridecaen-16-one
CID 137401452
13-iodo-13-azaheptacyclo[13.10.2.02,14.03,12.05,10.019,27.022,26]heptacosa-1(25),2(14),3,5,7,9,11,15,17,19(27),20,22(26),23-tridecaene
CID 126684292
2,18-diazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),3,5,7,9,11,13(34),14,16,19,21,23,25,27,29(33),30-hexadecaene
CID 171595191
1,5-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.022,27.028,39.029,38.031,36.016,40]tetraconta-2(19),3,6,8,10,12(40),13,15,17,20,22,24,26,28(39),29,31,33,35,37-nonadecaene
CID 162480295
25-(2,3,4,5,6-pentadeuteriophenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene
CID 153432794
9-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),2(10),3,5,7,11,13,15,17,19,21,23-dodecaene
CID 158780062
25-(4,6-diphenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene
CID 134235603
16-methyl-16-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene
CID 126749251
5-chlorobenzo[b]carbazole
CID 139496406
12,31-diazaundecacyclo[18.17.1.12,12.13,7.013,18.021,30.023,28.031,38.032,37.011,40.019,39]tetraconta-1(38),2(39),3,5,7(40),8,10,13,15,17,19,21,23,25,27,29,32,34,36-nonadecaene
CID 177115297
N-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-amine
CID 163849157
25-[4-methyl-3-(2-methylphenyl)phenyl]-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;toluene
CID 145276522

Frequently Asked Questions

What is the IUPAC name of 33,33-dimethyl-1,30-diaza-33-silanonacyclo[28.2.1.02,11.04,9.012,32.013,18.019,31.020,29.022,27]tritriaconta-2,4,6,8,10,12(32),13,15,17,19(31),20,22,24,26,28-pentadecaene?
The IUPAC name of 33,33-dimethyl-1,30-diaza-33-silanonacyclo[28.2.1.02,11.04,9.012,32.013,18.019,31.020,29.022,27]tritriaconta-2,4,6,8,10,12(32),13,15,17,19(31),20,22,24,26,28-pentadecaene (CID 58249880) is 33,33-dimethyl-1,30-diaza-33-silanonacyclo[28.2.1.02,11.04,9.012,32.013,18.019,31.020,29.022,27]tritriaconta-2,4,6,8,10,12(32),13,15,17,19(31),20,22,24,26,28-pentadecaene.
What is the SMILES notation for 33,33-dimethyl-1,30-diaza-33-silanonacyclo[28.2.1.02,11.04,9.012,32.013,18.019,31.020,29.022,27]tritriaconta-2,4,6,8,10,12(32),13,15,17,19(31),20,22,24,26,28-pentadecaene?
The canonical SMILES for 33,33-dimethyl-1,30-diaza-33-silanonacyclo[28.2.1.02,11.04,9.012,32.013,18.019,31.020,29.022,27]tritriaconta-2,4,6,8,10,12(32),13,15,17,19(31),20,22,24,26,28-pentadecaene is C[Si]1(C)n2c3cc4ccccc4cc3c3c4ccccc4c4c5cc6ccccc6cc5n1c4c32.
What is the InChIKey of 33,33-dimethyl-1,30-diaza-33-silanonacyclo[28.2.1.02,11.04,9.012,32.013,18.019,31.020,29.022,27]tritriaconta-2,4,6,8,10,12(32),13,15,17,19(31),20,22,24,26,28-pentadecaene?
The InChIKey is XITWFTDXVQBSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N2Si/c1-35(2)33-27-17-21-11-5-3-9-19(21)15-25(27)29-23-13-7-8-14-24(23)30-26-16-20-10-4-6-12-22(20)18-28(26)34(35)32(30)31(29)33/h3-18H,1-2H3.
What are the key properties of 33,33-dimethyl-1,30-diaza-33-silanonacyclo[28.2.1.02,11.04,9.012,32.013,18.019,31.020,29.022,27]tritriaconta-2,4,6,8,10,12(32),13,15,17,19(31),20,22,24,26,28-pentadecaene?
33,33-dimethyl-1,30-diaza-33-silanonacyclo[28.2.1.02,11.04,9.012,32.013,18.019,31.020,29.022,27]tritriaconta-2,4,6,8,10,12(32),13,15,17,19(31),20,22,24,26,28-pentadecaene has a molecular weight of 462.63 g/mol, XLogP of 8.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 33,33-dimethyl-1,30-diaza-33-silanonacyclo[28.2.1.02,11.04,9.012,32.013,18.019,31.020,29.022,27]tritriaconta-2,4,6,8,10,12(32),13,15,17,19(31),20,22,24,26,28-pentadecaene is sourced from PubChem (CID 58249880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).