(37-methyl-9,14,27,32-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)-triphenylsilane

C83H52B2Si — CID 174153322

IUPAC(37-methyl-9,14,27,32-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)-triphenylsilane
SMILESCc1cc2c3c(cc4c([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc5c6c(cc1c3c46)B1c3ccc(-c4ccccc4)cc3-c3cc(-c4ccccc4)cc-5c31)B1c3ccc(-c4ccccc4)cc3-c3cc(-c4ccccc4)cc-2c31
InChIInChI=1S/C83H52B2Si/c1-51-41-66-70-46-58(54-27-13-4-14-28-54)44-68-64-42-57(53-25-11-3-12-26-53)38-40-74(64)85(82(68)70)76-49-72-77(86(60-31-17-6-18-32-60,61-33-19-7-20-34-61)62-35-21-8-22-36-62)50-67-71-47-59(55-29-15-5-16-30-55)45-69-65-43-56(52-23-9-2-10-24-52)37-39-73(65)84(83(69)71)75-48-63(51)80(78(66)76)81(72)79(67)75/h2-50H,1H3
InChIKeyOVTKYNRYNWYGPF-UHFFFAOYSA-N
MW1099.04 g/mol
LogP13.89
Rot. Bonds8

About (37-methyl-9,14,27,32-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)-triphenylsilane

(37-methyl-9,14,27,32-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)-triphenylsilane (PubChem CID 174153322) has the molecular formula C83H52B2Si and a molecular weight of 1099.04 g/mol. Its IUPAC name is (37-methyl-9,14,27,32-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)-triphenylsilane.

Molecular Properties

Compound Name(37-methyl-9,14,27,32-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)-triphenylsilane
PubChem CID174153322
Molecular FormulaC83H52B2Si
Molecular Weight1099.04 g/mol
Exact Mass1098.40
IUPAC Name(37-methyl-9,14,27,32-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)-triphenylsilane
SMILESCc1cc2c3c(cc4c([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc5c6c(cc1c3c46)B1c3ccc(-c4ccccc4)cc3-c3cc(-c4ccccc4)cc-5c31)B1c3ccc(-c4ccccc4)cc3-c3cc(-c4ccccc4)cc-2c31
InChIInChI=1S/C83H52B2Si/c1-51-41-66-70-46-58(54-27-13-4-14-28-54)44-68-64-42-57(53-25-11-3-12-26-53)38-40-74(64)85(82(68)70)76-49-72-77(86(60-31-17-6-18-32-60,61-33-19-7-20-34-61)62-35-21-8-22-36-62)50-67-71-47-59(55-29-15-5-16-30-55)45-69-65-43-56(52-23-9-2-10-24-52)37-39-73(65)84(83(69)71)75-48-63(51)80(78(66)76)81(72)79(67)75/h2-50H,1H3
InChIKeyOVTKYNRYNWYGPF-UHFFFAOYSA-N
XLogP13.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001099.04
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (37-methyl-9,14,27,32-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)-triphenylsilane 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

(9,14,27,32,37-pentamethyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30(41),31,33,35(39),36-icosaen-19-yl)-triphenylsilane
CID 174153300
(14,32-dibromo-37-methyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35(39),36-icosaen-19-yl)-triphenylsilane
CID 174153287
triphenyl-(14,27,32-trimethoxy-9,37-dimethyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)silane
CID 174153346
9,14,27,32-tetraphenyl-19,37-di(propan-2-yl)-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(39),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30(41),31,33,35,37-icosaene
CID 170525979
(15,34-ditert-butyl-39-methyl-12,31-dioxa-5,24-diboradodecacyclo[21.17.1.14,40.15,13.124,32.02,21.03,18.06,11.025,30.037,41.017,44.036,43]tetratetraconta-1(40),2,4(42),6,8,10,13,15,17(44),18,20,22,25,27,29,32,34,36(43),37(41),38-icosaen-20-yl)-triphenylsilane
CID 174153468
14,19,27,37-tetramethyl-9-N,9-N,32-N,32-N-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2(20),3(17),4(40),6(11),7,9,12,14,16(42),18,21,24(29),25,27,30(41),31,33,35(39),36-icosaene-9,32-diamine
CID 174153328
5,17-bis(4-methylphenyl)-10-phenyl-1-borapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2(7),3,5,8,10,12(21),15(20),16,18-nonaene
CID 174009886
19,37-dideuterio-9,14,27,32-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2(20),3(17),4(40),6(11),7,9,12,14,16(42),18,21,24(29),25,27,30,32,34(41),35(39),36-icosaene
CID 170525807
9,14-dimethyl-27,32-bis(trifluoromethyl)-19,37-bis(2,4,6-triphenylphenyl)-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2(20),3(17),4(40),6(11),7,9,12(42),13,15,18,21,24(29),25,27,30(41),31,33,35(39),36-icosaene
CID 174153319
14-iodo-19,32,37-triphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2(20),3(17),4(40),6,8,10,12(42),13,15,18,21,24,26,28,30(41),31,33,35(39),36-icosaene
CID 174153580
19-iodo-14,32,37-triphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35(39),36-icosaene
CID 174153617
19,37-bis(2-phenylphenyl)-9,14,27,32-tetra(propan-2-yl)-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2(20),3(17),4(40),6(11),7,9,12(42),13,15,18,21,24(29),25,27,30(41),31,33,35(39),36-icosaene
CID 170526009

Frequently Asked Questions

What is the IUPAC name of (37-methyl-9,14,27,32-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)-triphenylsilane?
The IUPAC name of (37-methyl-9,14,27,32-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)-triphenylsilane (CID 174153322) is (37-methyl-9,14,27,32-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)-triphenylsilane.
What is the SMILES notation for (37-methyl-9,14,27,32-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)-triphenylsilane?
The canonical SMILES for (37-methyl-9,14,27,32-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)-triphenylsilane is Cc1cc2c3c(cc4c([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc5c6c(cc1c3c46)B1c3ccc(-c4ccccc4)cc3-c3cc(-c4ccccc4)cc-5c31)B1c3ccc(-c4ccccc4)cc3-c3cc(-c4ccccc4)cc-2c31.
What is the InChIKey of (37-methyl-9,14,27,32-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)-triphenylsilane?
The InChIKey is OVTKYNRYNWYGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H52B2Si/c1-51-41-66-70-46-58(54-27-13-4-14-28-54)44-68-64-42-57(53-25-11-3-12-26-53)38-40-74(64)85(82(68)70)76-49-72-77(86(60-31-17-6-18-32-60,61-33-19-7-20-34-61)62-35-21-8-22-36-62)50-67-71-47-59(55-29-15-5-16-30-55)45-69-65-43-56(52-23-9-2-10-24-52)37-39-73(65)84(83(69)71)75-48-63(51)80(78(66)76)81(72)79(67)75/h2-50H,1H3.
What are the key properties of (37-methyl-9,14,27,32-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)-triphenylsilane?
(37-methyl-9,14,27,32-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)-triphenylsilane has a molecular weight of 1099.04 g/mol, XLogP of 13.89, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (37-methyl-9,14,27,32-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)-triphenylsilane is sourced from PubChem (CID 174153322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).