diphenyl-[3-(8-phenyl-14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)phenyl]-(14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)silane

C96H70B2N4Si3 — CID 175632979

IUPACdiphenyl-[3-(8-phenyl-14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)phenyl]-(14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)silane
SMILESc1ccc(N2c3ccc(-c4cccc([Si](c5ccccc5)(c5ccccc5)N5c6ccccc6B6c7ccccc7N([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c7cccc5c76)c4)cc3B3c4ccccc4N([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c4cccc2c43)cc1
InChIInChI=1S/C96H70B2N4Si3/c1-10-38-73(39-11-1)99-87-68-67-72(70-86(87)98-85-59-30-33-62-90(85)100(92-64-35-63-91(99)95(92)98)103(74-40-12-2-13-41-74,75-42-14-3-15-43-75)76-44-16-4-17-45-76)71-37-34-56-82(69-71)105(80-52-24-8-25-53-80,81-54-26-9-27-55-81)102-89-61-32-29-58-84(89)97-83-57-28-31-60-88(83)101(93-65-36-66-94(102)96(93)97)104(77-46-18-5-19-47-77,78-48-20-6-21-49-78)79-50-22-7-23-51-79/h1-70H
InChIKeyRCODMIHCMHBDFY-UHFFFAOYSA-N
MW1385.53 g/mol
LogP12.52
Rot. Bonds14

About diphenyl-[3-(8-phenyl-14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)phenyl]-(14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)silane

diphenyl-[3-(8-phenyl-14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)phenyl]-(14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)silane (PubChem CID 175632979) has the molecular formula C96H70B2N4Si3 and a molecular weight of 1385.53 g/mol. Its IUPAC name is diphenyl-[3-(8-phenyl-14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)phenyl]-(14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)silane.

Molecular Properties

Compound Namediphenyl-[3-(8-phenyl-14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)phenyl]-(14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)silane
PubChem CID175632979
Molecular FormulaC96H70B2N4Si3
Molecular Weight1385.53 g/mol
Exact Mass1384.51
IUPAC Namediphenyl-[3-(8-phenyl-14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)phenyl]-(14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)silane
SMILESc1ccc(N2c3ccc(-c4cccc([Si](c5ccccc5)(c5ccccc5)N5c6ccccc6B6c7ccccc7N([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c7cccc5c76)c4)cc3B3c4ccccc4N([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c4cccc2c43)cc1
InChIInChI=1S/C96H70B2N4Si3/c1-10-38-73(39-11-1)99-87-68-67-72(70-86(87)98-85-59-30-33-62-90(85)100(92-64-35-63-91(99)95(92)98)103(74-40-12-2-13-41-74,75-42-14-3-15-43-75)76-44-16-4-17-45-76)71-37-34-56-82(69-71)105(80-52-24-8-25-53-80,81-54-26-9-27-55-81)102-89-61-32-29-58-84(89)97-83-57-28-31-60-88(83)101(93-65-36-66-94(102)96(93)97)104(77-46-18-5-19-47-77,78-48-20-6-21-49-78)79-50-22-7-23-51-79/h1-70H
InChIKeyRCODMIHCMHBDFY-UHFFFAOYSA-N
XLogP12.52
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001385.53
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diphenyl-[3-(8-phenyl-14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)phenyl]-(14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)silane with MolForge

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Related Compounds

triphenyl-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)silane
CID 171767026
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 153317378
5,11,22,28-tetraphenyl-5,11,22,28-tetraza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene
CID 123463711
4,8-diphenyl-14-(3,4,5-triphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
CID 167381288
12,18,22,28-tetraphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene
CID 123419959
8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 162505107
8,14-diphenyl-11-(3-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 123824531
4,8,14-triphenyl-11-propan-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 156625025
4,11,17-triphenyl-8,14-bis(3-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 167381179
4-(3,6-diphenylcarbazol-9-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 153317527
4-dibenzofuran-2-yl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 153317349
4-(4-dibenzothiophen-2-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 153317108

Frequently Asked Questions

What is the IUPAC name of diphenyl-[3-(8-phenyl-14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)phenyl]-(14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)silane?
The IUPAC name of diphenyl-[3-(8-phenyl-14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)phenyl]-(14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)silane (CID 175632979) is diphenyl-[3-(8-phenyl-14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)phenyl]-(14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)silane.
What is the SMILES notation for diphenyl-[3-(8-phenyl-14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)phenyl]-(14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)silane?
The canonical SMILES for diphenyl-[3-(8-phenyl-14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)phenyl]-(14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)silane is c1ccc(N2c3ccc(-c4cccc([Si](c5ccccc5)(c5ccccc5)N5c6ccccc6B6c7ccccc7N([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c7cccc5c76)c4)cc3B3c4ccccc4N([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c4cccc2c43)cc1.
What is the InChIKey of diphenyl-[3-(8-phenyl-14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)phenyl]-(14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)silane?
The InChIKey is RCODMIHCMHBDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H70B2N4Si3/c1-10-38-73(39-11-1)99-87-68-67-72(70-86(87)98-85-59-30-33-62-90(85)100(92-64-35-63-91(99)95(92)98)103(74-40-12-2-13-41-74,75-42-14-3-15-43-75)76-44-16-4-17-45-76)71-37-34-56-82(69-71)105(80-52-24-8-25-53-80,81-54-26-9-27-55-81)102-89-61-32-29-58-84(89)97-83-57-28-31-60-88(83)101(93-65-36-66-94(102)96(93)97)104(77-46-18-5-19-47-77,78-48-20-6-21-49-78)79-50-22-7-23-51-79/h1-70H.
What are the key properties of diphenyl-[3-(8-phenyl-14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)phenyl]-(14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)silane?
diphenyl-[3-(8-phenyl-14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)phenyl]-(14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)silane has a molecular weight of 1385.53 g/mol, XLogP of 12.52, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[3-(8-phenyl-14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-yl)phenyl]-(14-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)silane is sourced from PubChem (CID 175632979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).