16,26,26-trimethyl-13,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2(34),3,5,7,9,11,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene

C33H25BN2Si — CID 167419424

IUPAC16,26,26-trimethyl-13,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2(34),3,5,7,9,11,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene
SMILESCc1cc2c3c(c1)-n1c4ccccc4c4cccc(c41)B3c1cccc3c1N2c1ccccc1[Si]3(C)C
InChIInChI=1S/C33H25BN2Si/c1-20-18-27-31-28(19-20)36-26-15-6-7-16-29(26)37(2,3)30-17-9-13-24(33(30)36)34(31)23-12-8-11-22-21-10-4-5-14-25(21)35(27)32(22)23/h4-19H,1-3H3
InChIKeyYPHFAHWRTPACTJ-UHFFFAOYSA-N
MW488.48 g/mol
LogP4.84
Rot. Bonds

About 16,26,26-trimethyl-13,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2(34),3,5,7,9,11,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene

16,26,26-trimethyl-13,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2(34),3,5,7,9,11,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene (PubChem CID 167419424) has the molecular formula C33H25BN2Si and a molecular weight of 488.48 g/mol. Its IUPAC name is 16,26,26-trimethyl-13,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2(34),3,5,7,9,11,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene.

Molecular Properties

Compound Name16,26,26-trimethyl-13,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2(34),3,5,7,9,11,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene
PubChem CID167419424
Molecular FormulaC33H25BN2Si
Molecular Weight488.48 g/mol
Exact Mass488.19
IUPAC Name16,26,26-trimethyl-13,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2(34),3,5,7,9,11,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene
SMILESCc1cc2c3c(c1)-n1c4ccccc4c4cccc(c41)B3c1cccc3c1N2c1ccccc1[Si]3(C)C
InChIInChI=1S/C33H25BN2Si/c1-20-18-27-31-28(19-20)36-26-15-6-7-16-29(26)37(2,3)30-17-9-13-24(33(30)36)34(31)23-12-8-11-22-21-10-4-5-14-25(21)35(27)32(22)23/h4-19H,1-3H3
InChIKeyYPHFAHWRTPACTJ-UHFFFAOYSA-N
XLogP4.84
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.48
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 16,26,26-trimethyl-13,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2(34),3,5,7,9,11,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene with MolForge

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Related Compounds

4-methyl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7,9,11,14,16,18(31),20,22,24,26,28,30(32)-pentadecaene
CID 161147795
30,46,46-triphenyl-1,7,26,30-tetraza-46-sila-19,40-diborahexadecacyclo[39.11.1.12,6.17,14.03,40.04,26.05,19.08,13.020,25.024,28.027,39.029,37.031,36.045,53.047,52.018,54]pentapentaconta-2,4,6(55),8,10,12,14,16,18(54),20(25),21,23,27,29(37),31,33,35,38,41(53),42,44,47,49,51-tetracosaene
CID 176762123
5-(1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-13-yl)-4,10,10-trimethylbenzo[b][1,4]benzazasiline
CID 168759658
28-carbazol-9-yl-25,31-diaza-1-boratridecacyclo[28.24.1.12,6.131,50.07,12.013,18.019,24.026,55.032,37.038,43.044,49.025,57.054,56]heptapentaconta-2(57),3,5,7,9,11,13,15,17,19,21,23,26,28,30(55),32,34,36,38,40,42,44,46,48,50,52,54(56)-heptacosaene
CID 172522305
5-(1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-13-yl)-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 168759508
7,11,26-triphenyl-18-(2,4,6-trimethylphenyl)-1,7,11,29-tetraza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8(21),9,12,14,16,19,23(28),24,26,30,32,34,37(48),38,40,42,44,46-henicosaene
CID 157149053
22,28,36,42-tetratert-butyl-19,25,39,45-tetraza-1,7,32-triboraheptadecacyclo[38.16.1.12,6.17,20.18,12.145,52.03,39.04,32.05,25.013,18.026,31.033,38.044,57.046,51.019,60.024,59.056,58]henhexaconta-2,4,6(61),8(60),9,11,13,15,17,20(59),21,23,26(31),27,29,33(38),34,36,40,42,44(57),46,48,50,52,54,56(58)-heptacosaene
CID 169037765
5,11,22-triphenyl-5,11,22,28-tetraza-1,18-diboraundecacyclo[21.16.1.16,10.128,35.02,21.04,19.012,17.027,40.029,34.018,42.039,41]dotetraconta-2(21),3,6,8,10(42),12,14,16,19,23,25,27(40),29,31,33,35,37,39(41)-octadecaene
CID 171607602
11-methyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9(26),10,12,15,17,19,21(25),22-dodecaene
CID 153225086
26,30,34-triphenyl-20,26,30,34,40-pentaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene
CID 156621733
18-tert-butyl-22-(4-tert-butyl-2,6-dimethylphenyl)-9,9-dimethyl-N,N-diphenyl-2,22-diaza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16(21),17,19,23,25-dodecaen-25-amine
CID 167419282
5,21-diphenyl-24-(2-phenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9,11,13(27),15,17,19,22,24-dodecaene
CID 155618088

Frequently Asked Questions

What is the IUPAC name of 16,26,26-trimethyl-13,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2(34),3,5,7,9,11,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene?
The IUPAC name of 16,26,26-trimethyl-13,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2(34),3,5,7,9,11,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene (CID 167419424) is 16,26,26-trimethyl-13,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2(34),3,5,7,9,11,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene.
What is the SMILES notation for 16,26,26-trimethyl-13,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2(34),3,5,7,9,11,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene?
The canonical SMILES for 16,26,26-trimethyl-13,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2(34),3,5,7,9,11,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene is Cc1cc2c3c(c1)-n1c4ccccc4c4cccc(c41)B3c1cccc3c1N2c1ccccc1[Si]3(C)C.
What is the InChIKey of 16,26,26-trimethyl-13,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2(34),3,5,7,9,11,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene?
The InChIKey is YPHFAHWRTPACTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25BN2Si/c1-20-18-27-31-28(19-20)36-26-15-6-7-16-29(26)37(2,3)30-17-9-13-24(33(30)36)34(31)23-12-8-11-22-21-10-4-5-14-25(21)35(27)32(22)23/h4-19H,1-3H3.
What are the key properties of 16,26,26-trimethyl-13,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2(34),3,5,7,9,11,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene?
16,26,26-trimethyl-13,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2(34),3,5,7,9,11,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene has a molecular weight of 488.48 g/mol, XLogP of 4.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16,26,26-trimethyl-13,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2(34),3,5,7,9,11,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene is sourced from PubChem (CID 167419424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).