18,22-diphenyl-15,25-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,28-dioxa-16,18,22,24-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23(35),24,26,29,31,33-pentadecaene

C68H60B2N4O2 — CID 163730155

About 18,22-diphenyl-15,25-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,28-dioxa-16,18,22,24-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23(35),24,26,29,31,33-pentadecaene

18,22-diphenyl-15,25-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,28-dioxa-16,18,22,24-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23(35),24,26,29,31,33-pentadecaene (PubChem CID 163730155) has the molecular formula C68H60B2N4O2 and a molecular weight of 986.88 g/mol. Its IUPAC name is 18,22-diphenyl-15,25-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,28-dioxa-16,18,22,24-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23(35),24,26,29,31,33-pentadecaene.

Molecular Properties

• Compound Name: 18,22-diphenyl-15,25-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,28-dioxa-16,18,22,24-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23(35),24,26,29,31,33-pentadecaene
• PubChem CID: 163730155
• Molecular Formula: C68H60B2N4O2
• Molecular Weight: 986.88 g/mol
• Exact Mass: 986.49
• IUPAC Name: 18,22-diphenyl-15,25-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,28-dioxa-16,18,22,24-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23(35),24,26,29,31,33-pentadecaene
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3cc4c5c(n3)N(c3ccccc3)c3cc6c(cc3B5c3ccccc3O4)B3c4ccccc4Oc4cc(-c5ccc7c(c5)C(C)(C)CCC7(C)C)nc(c43)N6c3ccccc3)ccc21
• InChI: InChI=1S/C68H60B2N4O2/c1-65(2)31-33-67(5,6)47-35-41(27-29-45(47)65)53-38-59-61-63(71-53)73(43-19-11-9-12-20-43)55-40-56-52(37-51(55)69(61)49-23-15-17-25-57(49)75-59)70-50-24-16-18-26-58(50)76-60-39-54(72-64(62(60)70)74(56)44-21-13-10-14-22-44)42-28-30-46-48(36-42)68(7,8)34-32-66(46,3)4/h9-30,35-40H,31-34H2,1-8H3
• InChIKey: KYXLYWDTWKQVOO-UHFFFAOYSA-N
• XLogP: 13.32
• TPSA: 50.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	986.88
LogP ≤ 5	13.32
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 18,22-diphenyl-15,25-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,28-dioxa-16,18,22,24-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23(35),24,26,29,31,33-pentadecaene?

The IUPAC name of 18,22-diphenyl-15,25-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,28-dioxa-16,18,22,24-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23(35),24,26,29,31,33-pentadecaene (CID 163730155) is 18,22-diphenyl-15,25-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,28-dioxa-16,18,22,24-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23(35),24,26,29,31,33-pentadecaene.

What is the SMILES notation for 18,22-diphenyl-15,25-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,28-dioxa-16,18,22,24-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23(35),24,26,29,31,33-pentadecaene?

The canonical SMILES for 18,22-diphenyl-15,25-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,28-dioxa-16,18,22,24-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23(35),24,26,29,31,33-pentadecaene is CC1(C)CCC(C)(C)c2cc(-c3cc4c5c(n3)N(c3ccccc3)c3cc6c(cc3B5c3ccccc3O4)B3c4ccccc4Oc4cc(-c5ccc7c(c5)C(C)(C)CCC7(C)C)nc(c43)N6c3ccccc3)ccc21.

What is the InChIKey of 18,22-diphenyl-15,25-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,28-dioxa-16,18,22,24-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23(35),24,26,29,31,33-pentadecaene?

The InChIKey is KYXLYWDTWKQVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H60B2N4O2/c1-65(2)31-33-67(5,6)47-35-41(27-29-45(47)65)53-38-59-61-63(71-53)73(43-19-11-9-12-20-43)55-40-56-52(37-51(55)69(61)49-23-15-17-25-57(49)75-59)70-50-24-16-18-26-58(50)76-60-39-54(72-64(62(60)70)74(56)44-21-13-10-14-22-44)42-28-30-46-48(36-42)68(7,8)34-32-66(46,3)4/h9-30,35-40H,31-34H2,1-8H3.

What are the key properties of 18,22-diphenyl-15,25-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,28-dioxa-16,18,22,24-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23(35),24,26,29,31,33-pentadecaene?

18,22-diphenyl-15,25-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,28-dioxa-16,18,22,24-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23(35),24,26,29,31,33-pentadecaene has a molecular weight of 986.88 g/mol, XLogP of 13.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 18,22-diphenyl-15,25-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,28-dioxa-16,18,22,24-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23(35),24,26,29,31,33-pentadecaene is sourced from PubChem (CID 163730155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).