(23,24-diphenyl-9-trimethylsilylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]-14-yl)-trimethylsilane

C60H47BN2Si3 — CID 177289804

IUPAC(23,24-diphenyl-9-trimethylsilylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]-14-yl)-trimethylsilane
SMILESC[Si](C)(C)c1cc2c3c(c1)c1cc([Si](C)(C)C)cc4c1n3-c1c(ccc3c1B2c1cc2ccccc2c2c(-c5ccccc5)c(-c5ccccc5)n-3c12)[Si]41c2ccccc2-c2ccccc21
InChIInChI=1S/C60H47BN2Si3/c1-64(2,3)39-32-44-45-33-40(65(4,5)6)35-52-58(45)63-57(44)47(34-39)61-46-31-38-23-13-14-24-41(38)54-53(36-19-9-7-10-20-36)56(37-21-11-8-12-22-37)62(59(46)54)48-29-30-51(60(63)55(48)61)66(52)49-27-17-15-25-42(49)43-26-16-18-28-50(43)66/h7-35H,1-6H3
InChIKeyXEWNAXCEJLGBNJ-UHFFFAOYSA-N
MW891.12 g/mol
LogP9.12
Rot. Bonds4

About (23,24-diphenyl-9-trimethylsilylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]-14-yl)-trimethylsilane

(23,24-diphenyl-9-trimethylsilylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]-14-yl)-trimethylsilane (PubChem CID 177289804) has the molecular formula C60H47BN2Si3 and a molecular weight of 891.12 g/mol. Its IUPAC name is (23,24-diphenyl-9-trimethylsilylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]-14-yl)-trimethylsilane.

Molecular Properties

Compound Name(23,24-diphenyl-9-trimethylsilylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]-14-yl)-trimethylsilane
PubChem CID177289804
Molecular FormulaC60H47BN2Si3
Molecular Weight891.12 g/mol
Exact Mass890.31
IUPAC Name(23,24-diphenyl-9-trimethylsilylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]-14-yl)-trimethylsilane
SMILESC[Si](C)(C)c1cc2c3c(c1)c1cc([Si](C)(C)C)cc4c1n3-c1c(ccc3c1B2c1cc2ccccc2c2c(-c5ccccc5)c(-c5ccccc5)n-3c12)[Si]41c2ccccc2-c2ccccc21
InChIInChI=1S/C60H47BN2Si3/c1-64(2,3)39-32-44-45-33-40(65(4,5)6)35-52-58(45)63-57(44)47(34-39)61-46-31-38-23-13-14-24-41(38)54-53(36-19-9-7-10-20-36)56(37-21-11-8-12-22-37)62(59(46)54)48-29-30-51(60(63)55(48)61)66(52)49-27-17-15-25-42(49)43-26-16-18-28-50(43)66/h7-35H,1-6H3
InChIKeyXEWNAXCEJLGBNJ-UHFFFAOYSA-N
XLogP9.12
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.12
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (23,24-diphenyl-9-trimethylsilylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]-14-yl)-trimethylsilane 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

10,13-dimethyl-23,24-diphenylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6,8,10,12,14,16(34),19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]
CID 177289703
23,24-diphenyl-9,14-bis(2-phenylpropan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,9'-fluorene]
CID 177289533
(23,24-dimethyl-9-trimethylsilylspiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,9'-fluorene]-14-yl)-trimethylsilane
CID 177289484
9,14-ditert-butyl-23,24-bis(4-methylphenyl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,9'-fluorene]
CID 177289748
23,24-bis(4-methylphenyl)-9,14-bis(2-phenylpropan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,9'-fluorene]
CID 177289470
9,14-dicyclopentyl-23,24-diphenylspiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,9'-fluorene]
CID 177289517
23,24-bis(4-tert-butylphenyl)-9,14-dimethylspiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,9'-fluorene]
CID 177289602
21,24-dimethyl-10,11-diphenylspiro[1,12-diaza-4-boranonacyclo[16.10.1.15,9.02,16.03,13.04,27.022,29.023,28.012,30]triaconta-2(16),3(13),5(30),6,8,10,14,18(29),19,21,23,25,27-tridecaene-17,9'-fluorene]
CID 177289460
tert-butyl-[7-tert-butyl-20-[tert-butyl(dimethyl)silyl]-10,11-bis(4-tert-butylphenyl)spiro[1,12-diaza-4-boranonacyclo[16.10.1.15,9.02,16.03,13.04,27.022,29.023,28.012,30]triaconta-2(16),3(13),5,7,9(30),10,14,18,20,22(29),23(28),24,26-tridecaene-17,9'-fluorene]-25-yl]-dimethylsilane
CID 177289326
spiro[1,21,28-triaza-40-sila-25-boratetradecacyclo[22.20.1.110,14.128,35.02,7.08,45.09,22.015,20.025,30.026,44.027,41.029,34.021,47.039,46]heptatetraconta-2,4,6,8(45),9(22),10,12,14(47),15,17,19,23,26(44),27(41),29,31,33,35(46),36,38,42-henicosaene-40,5'-benzo[b][1]benzosilole]
CID 177289927
3',7',9,14-tetratert-butyl-32-phenylspiro[5,22,32-triaza-17-sila-2-boradodecacyclo[20.17.1.15,12.02,7.03,21.04,18.06,11.023,28.029,40.031,39.033,38.016,41]hentetraconta-1(40),3(21),4(18),6(11),7,9,12(41),13,15,19,23,25,27,29,31(39),33,35,37-octadecaene-17,5'-benzo[b][1]benzosilole]
CID 177289975
9,14-bis(3-methylbutan-2-yl)-23,24-diphenylspiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]
CID 177289585

Frequently Asked Questions

What is the IUPAC name of (23,24-diphenyl-9-trimethylsilylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]-14-yl)-trimethylsilane?
The IUPAC name of (23,24-diphenyl-9-trimethylsilylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]-14-yl)-trimethylsilane (CID 177289804) is (23,24-diphenyl-9-trimethylsilylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]-14-yl)-trimethylsilane.
What is the SMILES notation for (23,24-diphenyl-9-trimethylsilylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]-14-yl)-trimethylsilane?
The canonical SMILES for (23,24-diphenyl-9-trimethylsilylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]-14-yl)-trimethylsilane is C[Si](C)(C)c1cc2c3c(c1)c1cc([Si](C)(C)C)cc4c1n3-c1c(ccc3c1B2c1cc2ccccc2c2c(-c5ccccc5)c(-c5ccccc5)n-3c12)[Si]41c2ccccc2-c2ccccc21.
What is the InChIKey of (23,24-diphenyl-9-trimethylsilylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]-14-yl)-trimethylsilane?
The InChIKey is XEWNAXCEJLGBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47BN2Si3/c1-64(2,3)39-32-44-45-33-40(65(4,5)6)35-52-58(45)63-57(44)47(34-39)61-46-31-38-23-13-14-24-41(38)54-53(36-19-9-7-10-20-36)56(37-21-11-8-12-22-37)62(59(46)54)48-29-30-51(60(63)55(48)61)66(52)49-27-17-15-25-42(49)43-26-16-18-28-50(43)66/h7-35H,1-6H3.
What are the key properties of (23,24-diphenyl-9-trimethylsilylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]-14-yl)-trimethylsilane?
(23,24-diphenyl-9-trimethylsilylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]-14-yl)-trimethylsilane has a molecular weight of 891.12 g/mol, XLogP of 9.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (23,24-diphenyl-9-trimethylsilylspiro[5,22-diaza-17-sila-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,5'-benzo[b][1]benzosilole]-14-yl)-trimethylsilane is sourced from PubChem (CID 177289804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).