15,25-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-18-phenyl-12,28-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-22,36-dioxa-12,18,28-triaza-1,5-diboradecacyclo[21.14.1.15,13.02,21.04,19.06,11.027,38.029,37.030,35.017,39]nonatriaconta-2(21),3,6,8,10,13,15,17(39),19,23,25,27(38),29(37),30,32,34-hexadecaene

C94H85B2N5O2Si2 — CID 165037521

About 15,25-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-18-phenyl-12,28-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-22,36-dioxa-12,18,28-triaza-1,5-diboradecacyclo[21.14.1.15,13.02,21.04,19.06,11.027,38.029,37.030,35.017,39]nonatriaconta-2(21),3,6,8,10,13,15,17(39),19,23,25,27(38),29(37),30,32,34-hexadecaene

15,25-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-18-phenyl-12,28-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-22,36-dioxa-12,18,28-triaza-1,5-diboradecacyclo[21.14.1.15,13.02,21.04,19.06,11.027,38.029,37.030,35.017,39]nonatriaconta-2(21),3,6,8,10,13,15,17(39),19,23,25,27(38),29(37),30,32,34-hexadecaene (PubChem CID 165037521) has the molecular formula C94H85B2N5O2Si2 and a molecular weight of 1394.54 g/mol. Its IUPAC name is 15,25-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-18-phenyl-12,28-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-22,36-dioxa-12,18,28-triaza-1,5-diboradecacyclo[21.14.1.15,13.02,21.04,19.06,11.027,38.029,37.030,35.017,39]nonatriaconta-2(21),3,6,8,10,13,15,17(39),19,23,25,27(38),29(37),30,32,34-hexadecaene.

Molecular Properties

• Compound Name: 15,25-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-18-phenyl-12,28-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-22,36-dioxa-12,18,28-triaza-1,5-diboradecacyclo[21.14.1.15,13.02,21.04,19.06,11.027,38.029,37.030,35.017,39]nonatriaconta-2(21),3,6,8,10,13,15,17(39),19,23,25,27(38),29(37),30,32,34-hexadecaene
• PubChem CID: 165037521
• Molecular Formula: C94H85B2N5O2Si2
• Molecular Weight: 1394.54 g/mol
• Exact Mass: 1393.64
• IUPAC Name: 15,25-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-18-phenyl-12,28-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-22,36-dioxa-12,18,28-triaza-1,5-diboradecacyclo[21.14.1.15,13.02,21.04,19.06,11.027,38.029,37.030,35.017,39]nonatriaconta-2(21),3,6,8,10,13,15,17(39),19,23,25,27(38),29(37),30,32,34-hexadecaene
• SMILES: CC1(C)CCC(C)(C)c2cc(N3c4ccccc4B4c5cc6c(cc5N(c5ccccc5)c5cc(N7c8ccccc8[Si](C)(C)c8ccccc87)cc3c54)Oc3cc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc4c3B6c3oc5ccccc5c3N4c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc21
• InChI: InChI=1S/C94H85B2N5O2Si2/c1-91(2)46-48-93(5,6)66-50-59(42-44-64(66)91)98-71-32-18-17-31-68(71)95-69-56-70-81(57-76(69)97(58-28-14-13-15-29-58)77-52-61(53-78(98)87(77)95)99-72-33-19-24-38-83(72)104(9,10)84-39-25-20-34-73(84)99)102-82-55-62(100-74-35-21-26-40-85(74)105(11,12)86-41-27-22-36-75(86)100)54-79-88(82)96(70)90-89(63-30-16-23-37-80(63)103-90)101(79)60-43-45-65-67(51-60)94(7,8)49-47-92(65,3)4/h13-45,50-57H,46-49H2,1-12H3
• InChIKey: NPPRDFKKWKGQGL-UHFFFAOYSA-N
• XLogP: 18.83
• TPSA: 38.57 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1394.54
LogP ≤ 5	18.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15,25-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-18-phenyl-12,28-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-22,36-dioxa-12,18,28-triaza-1,5-diboradecacyclo[21.14.1.15,13.02,21.04,19.06,11.027,38.029,37.030,35.017,39]nonatriaconta-2(21),3,6,8,10,13,15,17(39),19,23,25,27(38),29(37),30,32,34-hexadecaene?

The IUPAC name of 15,25-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-18-phenyl-12,28-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-22,36-dioxa-12,18,28-triaza-1,5-diboradecacyclo[21.14.1.15,13.02,21.04,19.06,11.027,38.029,37.030,35.017,39]nonatriaconta-2(21),3,6,8,10,13,15,17(39),19,23,25,27(38),29(37),30,32,34-hexadecaene (CID 165037521) is 15,25-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-18-phenyl-12,28-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-22,36-dioxa-12,18,28-triaza-1,5-diboradecacyclo[21.14.1.15,13.02,21.04,19.06,11.027,38.029,37.030,35.017,39]nonatriaconta-2(21),3,6,8,10,13,15,17(39),19,23,25,27(38),29(37),30,32,34-hexadecaene.

What is the SMILES notation for 15,25-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-18-phenyl-12,28-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-22,36-dioxa-12,18,28-triaza-1,5-diboradecacyclo[21.14.1.15,13.02,21.04,19.06,11.027,38.029,37.030,35.017,39]nonatriaconta-2(21),3,6,8,10,13,15,17(39),19,23,25,27(38),29(37),30,32,34-hexadecaene?

The canonical SMILES for 15,25-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-18-phenyl-12,28-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-22,36-dioxa-12,18,28-triaza-1,5-diboradecacyclo[21.14.1.15,13.02,21.04,19.06,11.027,38.029,37.030,35.017,39]nonatriaconta-2(21),3,6,8,10,13,15,17(39),19,23,25,27(38),29(37),30,32,34-hexadecaene is CC1(C)CCC(C)(C)c2cc(N3c4ccccc4B4c5cc6c(cc5N(c5ccccc5)c5cc(N7c8ccccc8[Si](C)(C)c8ccccc87)cc3c54)Oc3cc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc4c3B6c3oc5ccccc5c3N4c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc21.

What is the InChIKey of 15,25-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-18-phenyl-12,28-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-22,36-dioxa-12,18,28-triaza-1,5-diboradecacyclo[21.14.1.15,13.02,21.04,19.06,11.027,38.029,37.030,35.017,39]nonatriaconta-2(21),3,6,8,10,13,15,17(39),19,23,25,27(38),29(37),30,32,34-hexadecaene?

The InChIKey is NPPRDFKKWKGQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H85B2N5O2Si2/c1-91(2)46-48-93(5,6)66-50-59(42-44-64(66)91)98-71-32-18-17-31-68(71)95-69-56-70-81(57-76(69)97(58-28-14-13-15-29-58)77-52-61(53-78(98)87(77)95)99-72-33-19-24-38-83(72)104(9,10)84-39-25-20-34-73(84)99)102-82-55-62(100-74-35-21-26-40-85(74)105(11,12)86-41-27-22-36-75(86)100)54-79-88(82)96(70)90-89(63-30-16-23-37-80(63)103-90)101(79)60-43-45-65-67(51-60)94(7,8)49-47-92(65,3)4/h13-45,50-57H,46-49H2,1-12H3.

What are the key properties of 15,25-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-18-phenyl-12,28-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-22,36-dioxa-12,18,28-triaza-1,5-diboradecacyclo[21.14.1.15,13.02,21.04,19.06,11.027,38.029,37.030,35.017,39]nonatriaconta-2(21),3,6,8,10,13,15,17(39),19,23,25,27(38),29(37),30,32,34-hexadecaene?

15,25-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-18-phenyl-12,28-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-22,36-dioxa-12,18,28-triaza-1,5-diboradecacyclo[21.14.1.15,13.02,21.04,19.06,11.027,38.029,37.030,35.017,39]nonatriaconta-2(21),3,6,8,10,13,15,17(39),19,23,25,27(38),29(37),30,32,34-hexadecaene has a molecular weight of 1394.54 g/mol, XLogP of 18.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 15,25-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-18-phenyl-12,28-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-22,36-dioxa-12,18,28-triaza-1,5-diboradecacyclo[21.14.1.15,13.02,21.04,19.06,11.027,38.029,37.030,35.017,39]nonatriaconta-2(21),3,6,8,10,13,15,17(39),19,23,25,27(38),29(37),30,32,34-hexadecaene is sourced from PubChem (CID 165037521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).