26,26-diphenyl-16-(2,4,6-trimethylphenyl)-2,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3,5,7,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene

C51H37BN2Si — CID 174125296

IUPAC26,26-diphenyl-16-(2,4,6-trimethylphenyl)-2,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3,5,7,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene
SMILESCc1cc(C)c(-c2cc3c4c(c2)N2c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5cccc(c52)B4n2c4ccccc4c4cccc-3c42)c(C)c1
InChIInChI=1S/C51H37BN2Si/c1-32-28-33(2)48(34(3)29-32)35-30-41-40-22-14-21-39-38-20-10-11-24-43(38)54(50(39)40)52-42-23-15-27-47-51(42)53(45(31-35)49(41)52)44-25-12-13-26-46(44)55(47,36-16-6-4-7-17-36)37-18-8-5-9-19-37/h4-31H,1-3H3
InChIKeyXWUNPMKYFOSYBG-UHFFFAOYSA-N
MW716.77 g/mol
LogP8.50
Rot. Bonds3

About 26,26-diphenyl-16-(2,4,6-trimethylphenyl)-2,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3,5,7,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene

26,26-diphenyl-16-(2,4,6-trimethylphenyl)-2,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3,5,7,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene (PubChem CID 174125296) has the molecular formula C51H37BN2Si and a molecular weight of 716.77 g/mol. Its IUPAC name is 26,26-diphenyl-16-(2,4,6-trimethylphenyl)-2,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3,5,7,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene.

Molecular Properties

Compound Name26,26-diphenyl-16-(2,4,6-trimethylphenyl)-2,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3,5,7,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene
PubChem CID174125296
Molecular FormulaC51H37BN2Si
Molecular Weight716.77 g/mol
Exact Mass716.28
IUPAC Name26,26-diphenyl-16-(2,4,6-trimethylphenyl)-2,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3,5,7,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene
SMILESCc1cc(C)c(-c2cc3c4c(c2)N2c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5cccc(c52)B4n2c4ccccc4c4cccc-3c42)c(C)c1
InChIInChI=1S/C51H37BN2Si/c1-32-28-33(2)48(34(3)29-32)35-30-41-40-22-14-21-39-38-20-10-11-24-43(38)54(50(39)40)52-42-23-15-27-47-51(42)53(45(31-35)49(41)52)44-25-12-13-26-46(44)55(47,36-16-6-4-7-17-36)37-18-8-5-9-19-37/h4-31H,1-3H3
InChIKeyXWUNPMKYFOSYBG-UHFFFAOYSA-N
XLogP8.50
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.77
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 26,26-diphenyl-16-(2,4,6-trimethylphenyl)-2,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3,5,7,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

22,25-diphenyl-19,28-bis(2,4,6-trimethylphenyl)-14,22,25,33-tetraza-15,32-diboratridecacyclo[22.20.1.12,15.13,7.133,40.08,13.016,21.026,31.032,45.034,39.014,48.023,47.044,46]octatetraconta-1(45),2(47),3,5,7(48),8,10,12,16(21),17,19,23,26(31),27,29,34,36,38,40(46),41,43-henicosaene
CID 168775773
17-tert-butyl-7,7-diphenyl-32-thia-14,34-diaza-7-sila-1-boradecacyclo[17.15.1.12,6.120,24.08,13.015,35.025,33.026,31.014,37.034,36]heptatriaconta-2(37),3,5,8,10,12,15,17,19(35),20,22,24(36),25(33),26,28,30-hexadecaene
CID 174125116
6,11-ditert-butyl-33,33-diphenyl-17-thia-2,26-diaza-33-sila-1-boraundecacyclo[23.13.1.12,9.126,34.03,8.014,39.016,24.018,23.027,32.013,41.038,40]hentetraconta-3(8),4,6,9(41),10,12,14,16(24),18,20,22,25(39),27,29,31,34,36,38(40)-octadecaene
CID 174127607
40,58-bis(2,4,6-trimethylphenyl)-6,28,32,54-tetraza-1,5-diboraheptadecacyclo[30.22.2.218,21.16,13.143,47.02,31.04,29.05,19.07,12.020,28.022,27.033,38.039,56.042,55.048,53.017,60.054,57]hexaconta-2(31),3,7,9,11,13(60),14,16,18(59),19,21(58),22,24,26,29,33,35,37,39,41,43,45,47(57),48,50,52,55-heptacosaene
CID 168775698
17-(2-methylphenyl)-7,7-diphenyl-14,35-diaza-1-boradecacyclo[17.16.1.12,6.120,24.08,13.015,36.025,34.026,31.014,38.035,37]octatriaconta-2(38),3,5,8,10,12,15,17,19(36),20,22,24(37),25(34),26,28,30,32-heptadecaene
CID 174014940
7,7-dimethyl-17-phenyl-26-thia-14,34-diaza-7-sila-1-boradecacyclo[17.15.1.12,6.120,24.08,13.015,35.025,33.027,32.014,37.034,36]heptatriaconta-2(37),3,5,8,10,12,15,17,19(35),20,22,24(36),25(33),27,29,31-hexadecaene
CID 174125113
16,22,41,47-tetrakis(2,4,6-trimethylphenyl)-2,19,27,44-tetraza-1,26-diborahexadecacyclo[35.13.2.29,12.12,29.14,27.03,28.010,26.011,19.013,18.020,25.034,51.038,43.044,52.045,50.08,54.033,53]hexapentaconta-3(28),4(54),5,7,9,11,13(18),14,16,20(25),21,23,29(53),30,32,34(51),35,37(52),38(43),39,41,45(50),46,48,55-pentacosaene
CID 172508071
20-(2-methylphenyl)-8,30-diphenyl-42-(2,4,6-trimethylphenyl)-8,16,30,38-tetraza-15,37-diboratridecacyclo[22.20.1.12,16.13,7.125,29.09,14.017,22.031,36.038,45.039,44.015,48.023,47.037,46]octatetraconta-1(45),2(47),3(48),4,6,9,11,13,17(22),18,20,23,25(46),26,28,31,33,35,39(44),40,42-henicosaene
CID 174138721
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
spiro[3-oxa-13,27-diaza-20-sila-26-boradodecacyclo[24.16.1.113,21.127,38.02,10.04,9.012,43.014,19.028,37.030,35.025,45.042,44]pentatetraconta-1,4,6,8,10,12(43),14,16,18,21,23,25(45),28,30,32,34,36,38(44),39,41-icosaene-20,5'-benzo[b][1]benzosilole]
CID 174129847
spiro[9-thia-13,27-diaza-20-sila-26-boradodecacyclo[24.16.1.113,21.127,38.02,10.03,8.012,43.014,19.028,37.030,35.025,45.042,44]pentatetraconta-1(43),2(10),3,5,7,11,14,16,18,21,23,25(45),28,30,32,34,36,38(44),39,41-icosaene-20,5'-benzo[b][1]benzosilole]
CID 174129953
7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene]
CID 155645458

Frequently Asked Questions

What is the IUPAC name of 26,26-diphenyl-16-(2,4,6-trimethylphenyl)-2,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3,5,7,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene?
The IUPAC name of 26,26-diphenyl-16-(2,4,6-trimethylphenyl)-2,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3,5,7,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene (CID 174125296) is 26,26-diphenyl-16-(2,4,6-trimethylphenyl)-2,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3,5,7,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene.
What is the SMILES notation for 26,26-diphenyl-16-(2,4,6-trimethylphenyl)-2,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3,5,7,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene?
The canonical SMILES for 26,26-diphenyl-16-(2,4,6-trimethylphenyl)-2,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3,5,7,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene is Cc1cc(C)c(-c2cc3c4c(c2)N2c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5cccc(c52)B4n2c4ccccc4c4cccc-3c42)c(C)c1.
What is the InChIKey of 26,26-diphenyl-16-(2,4,6-trimethylphenyl)-2,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3,5,7,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene?
The InChIKey is XWUNPMKYFOSYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37BN2Si/c1-32-28-33(2)48(34(3)29-32)35-30-41-40-22-14-21-39-38-20-10-11-24-43(38)54(50(39)40)52-42-23-15-27-47-51(42)53(45(31-35)49(41)52)44-25-12-13-26-46(44)55(47,36-16-6-4-7-17-36)37-18-8-5-9-19-37/h4-31H,1-3H3.
What are the key properties of 26,26-diphenyl-16-(2,4,6-trimethylphenyl)-2,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3,5,7,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene?
26,26-diphenyl-16-(2,4,6-trimethylphenyl)-2,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3,5,7,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene has a molecular weight of 716.77 g/mol, XLogP of 8.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 26,26-diphenyl-16-(2,4,6-trimethylphenyl)-2,19-diaza-26-sila-1-boranonacyclo[16.13.1.12,9.119,27.03,8.014,32.020,25.013,34.031,33]tetratriaconta-3,5,7,9(34),10,12,14(32),15,17,20,22,24,27,29,31(33)-pentadecaene is sourced from PubChem (CID 174125296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).