12-naphthalen-1-yl-16-phenyl-23-[7-(18-phenyl-12,18,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.03,8.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,16,19,21,23,25(34),26,28,30-pentadecaen-12-yl)naphthalen-2-yl]-12,16,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.05,10.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,17,19,21,23,25(34),26,28,30-pentadecaene

C92H54B2N6 — CID 174140230

About 12-naphthalen-1-yl-16-phenyl-23-[7-(18-phenyl-12,18,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.03,8.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,16,19,21,23,25(34),26,28,30-pentadecaen-12-yl)naphthalen-2-yl]-12,16,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.05,10.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,17,19,21,23,25(34),26,28,30-pentadecaene

12-naphthalen-1-yl-16-phenyl-23-[7-(18-phenyl-12,18,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.03,8.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,16,19,21,23,25(34),26,28,30-pentadecaen-12-yl)naphthalen-2-yl]-12,16,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.05,10.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,17,19,21,23,25(34),26,28,30-pentadecaene (PubChem CID 174140230) has the molecular formula C92H54B2N6 and a molecular weight of 1265.11 g/mol. Its IUPAC name is 12-naphthalen-1-yl-16-phenyl-23-[7-(18-phenyl-12,18,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.03,8.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,16,19,21,23,25(34),26,28,30-pentadecaen-12-yl)naphthalen-2-yl]-12,16,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.05,10.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,17,19,21,23,25(34),26,28,30-pentadecaene.

Molecular Properties

• Compound Name: 12-naphthalen-1-yl-16-phenyl-23-[7-(18-phenyl-12,18,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.03,8.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,16,19,21,23,25(34),26,28,30-pentadecaen-12-yl)naphthalen-2-yl]-12,16,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.05,10.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,17,19,21,23,25(34),26,28,30-pentadecaene
• PubChem CID: 174140230
• Molecular Formula: C92H54B2N6
• Molecular Weight: 1265.11 g/mol
• Exact Mass: 1264.46
• IUPAC Name: 12-naphthalen-1-yl-16-phenyl-23-[7-(18-phenyl-12,18,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.03,8.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,16,19,21,23,25(34),26,28,30-pentadecaen-12-yl)naphthalen-2-yl]-12,16,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.05,10.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,17,19,21,23,25(34),26,28,30-pentadecaene
• SMILES: c1ccc(-n2ccc3c4c5c(cc32)N(c2cccc3ccccc23)c2c(ccc3ccccc23)B5n2c3ccccc3c3cc(-c5ccc6ccc(N7c8cc9ccn(-c%10ccccc%10)c9c9c8B(c8c7ccc7ccccc87)n7c8ccccc8c8cccc-9c87)cc6c5)cc-4c32)cc1
• InChI: InChI=1S/C92H54B2N6/c1-3-23-63(24-4-1)95-48-46-72-81(95)54-83-87-84(72)75-52-62(51-74-70-31-14-16-35-79(70)99(91(74)75)93(87)76-43-40-58-21-9-12-29-68(58)92(76)98(83)77-36-17-22-56-19-7-10-27-66(56)77)59-38-37-55-39-42-65(50-61(55)49-59)97-80-44-41-57-20-8-11-28-67(57)86(80)94-88-82(97)53-60-45-47-96(64-25-5-2-6-26-64)89(60)85(88)73-33-18-32-71-69-30-13-15-34-78(69)100(94)90(71)73/h1-54H
• InChIKey: MTZOXUPAUIVUHD-UHFFFAOYSA-N
• XLogP: 20.91
• TPSA: 26.20 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1265.11
LogP ≤ 5	20.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-naphthalen-1-yl-16-phenyl-23-[7-(18-phenyl-12,18,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.03,8.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,16,19,21,23,25(34),26,28,30-pentadecaen-12-yl)naphthalen-2-yl]-12,16,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.05,10.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,17,19,21,23,25(34),26,28,30-pentadecaene?

The IUPAC name of 12-naphthalen-1-yl-16-phenyl-23-[7-(18-phenyl-12,18,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.03,8.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,16,19,21,23,25(34),26,28,30-pentadecaen-12-yl)naphthalen-2-yl]-12,16,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.05,10.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,17,19,21,23,25(34),26,28,30-pentadecaene (CID 174140230) is 12-naphthalen-1-yl-16-phenyl-23-[7-(18-phenyl-12,18,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.03,8.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,16,19,21,23,25(34),26,28,30-pentadecaen-12-yl)naphthalen-2-yl]-12,16,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.05,10.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,17,19,21,23,25(34),26,28,30-pentadecaene.

What is the SMILES notation for 12-naphthalen-1-yl-16-phenyl-23-[7-(18-phenyl-12,18,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.03,8.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,16,19,21,23,25(34),26,28,30-pentadecaen-12-yl)naphthalen-2-yl]-12,16,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.05,10.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,17,19,21,23,25(34),26,28,30-pentadecaene?

The canonical SMILES for 12-naphthalen-1-yl-16-phenyl-23-[7-(18-phenyl-12,18,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.03,8.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,16,19,21,23,25(34),26,28,30-pentadecaen-12-yl)naphthalen-2-yl]-12,16,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.05,10.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,17,19,21,23,25(34),26,28,30-pentadecaene is c1ccc(-n2ccc3c4c5c(cc32)N(c2cccc3ccccc23)c2c(ccc3ccccc23)B5n2c3ccccc3c3cc(-c5ccc6ccc(N7c8cc9ccn(-c%10ccccc%10)c9c9c8B(c8c7ccc7ccccc87)n7c8ccccc8c8cccc-9c87)cc6c5)cc-4c32)cc1.

What is the InChIKey of 12-naphthalen-1-yl-16-phenyl-23-[7-(18-phenyl-12,18,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.03,8.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,16,19,21,23,25(34),26,28,30-pentadecaen-12-yl)naphthalen-2-yl]-12,16,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.05,10.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,17,19,21,23,25(34),26,28,30-pentadecaene?

The InChIKey is MTZOXUPAUIVUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H54B2N6/c1-3-23-63(24-4-1)95-48-46-72-81(95)54-83-87-84(72)75-52-62(51-74-70-31-14-16-35-79(70)99(91(74)75)93(87)76-43-40-58-21-9-12-29-68(58)92(76)98(83)77-36-17-22-56-19-7-10-27-66(56)77)59-38-37-55-39-42-65(50-61(55)49-59)97-80-44-41-57-20-8-11-28-67(57)86(80)94-88-82(97)53-60-45-47-96(64-25-5-2-6-26-64)89(60)85(88)73-33-18-32-71-69-30-13-15-34-78(69)100(94)90(71)73/h1-54H.

What are the key properties of 12-naphthalen-1-yl-16-phenyl-23-[7-(18-phenyl-12,18,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.03,8.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,16,19,21,23,25(34),26,28,30-pentadecaen-12-yl)naphthalen-2-yl]-12,16,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.05,10.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,17,19,21,23,25(34),26,28,30-pentadecaene?

12-naphthalen-1-yl-16-phenyl-23-[7-(18-phenyl-12,18,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.03,8.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,16,19,21,23,25(34),26,28,30-pentadecaen-12-yl)naphthalen-2-yl]-12,16,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.05,10.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,17,19,21,23,25(34),26,28,30-pentadecaene has a molecular weight of 1265.11 g/mol, XLogP of 20.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-naphthalen-1-yl-16-phenyl-23-[7-(18-phenyl-12,18,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.03,8.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,16,19,21,23,25(34),26,28,30-pentadecaen-12-yl)naphthalen-2-yl]-12,16,32-triaza-1-boranonacyclo[18.12.1.121,25.02,11.05,10.013,33.015,19.026,31.032,34]tetratriaconta-2(11),3,5,7,9,13(33),14,17,19,21,23,25(34),26,28,30-pentadecaene is sourced from PubChem (CID 174140230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).