15,25-dimethyl-18,22-diphenyl-20-propan-2-yl-6,34-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.07,12.027,35.028,33.017,36]hexatriaconta-2(21),3,7,9,11,13(36),14,16,19,23,25,27(35),28,30,32-pentadecaene

C47H36B2N2O2 — CID 156680765

About 15,25-dimethyl-18,22-diphenyl-20-propan-2-yl-6,34-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.07,12.027,35.028,33.017,36]hexatriaconta-2(21),3,7,9,11,13(36),14,16,19,23,25,27(35),28,30,32-pentadecaene

15,25-dimethyl-18,22-diphenyl-20-propan-2-yl-6,34-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.07,12.027,35.028,33.017,36]hexatriaconta-2(21),3,7,9,11,13(36),14,16,19,23,25,27(35),28,30,32-pentadecaene (PubChem CID 156680765) has the molecular formula C47H36B2N2O2 and a molecular weight of 682.44 g/mol. Its IUPAC name is 15,25-dimethyl-18,22-diphenyl-20-propan-2-yl-6,34-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.07,12.027,35.028,33.017,36]hexatriaconta-2(21),3,7,9,11,13(36),14,16,19,23,25,27(35),28,30,32-pentadecaene.

Molecular Properties

• Compound Name: 15,25-dimethyl-18,22-diphenyl-20-propan-2-yl-6,34-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.07,12.027,35.028,33.017,36]hexatriaconta-2(21),3,7,9,11,13(36),14,16,19,23,25,27(35),28,30,32-pentadecaene
• PubChem CID: 156680765
• Molecular Formula: C47H36B2N2O2
• Molecular Weight: 682.44 g/mol
• Exact Mass: 682.30
• IUPAC Name: 15,25-dimethyl-18,22-diphenyl-20-propan-2-yl-6,34-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.07,12.027,35.028,33.017,36]hexatriaconta-2(21),3,7,9,11,13(36),14,16,19,23,25,27(35),28,30,32-pentadecaene
• SMILES: Cc1cc2c3c(c1)N(c1ccccc1)c1c(cc4c(c1C(C)C)N(c1ccccc1)c1cc(C)cc5c1B4Oc1ccccc1-5)B3Oc1ccccc1-2
• InChI: InChI=1S/C47H36B2N2O2/c1-28(2)43-46-37(48-44-35(33-19-11-13-21-41(33)52-48)23-29(3)25-39(44)50(46)31-15-7-5-8-16-31)27-38-47(43)51(32-17-9-6-10-18-32)40-26-30(4)24-36-34-20-12-14-22-42(34)53-49(38)45(36)40/h5-28H,1-4H3
• InChIKey: QOUSJLLDRYVGJN-UHFFFAOYSA-N
• XLogP: 9.32
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	682.44
LogP ≤ 5	9.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15,25-dimethyl-18,22-diphenyl-20-propan-2-yl-6,34-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.07,12.027,35.028,33.017,36]hexatriaconta-2(21),3,7,9,11,13(36),14,16,19,23,25,27(35),28,30,32-pentadecaene?

The IUPAC name of 15,25-dimethyl-18,22-diphenyl-20-propan-2-yl-6,34-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.07,12.027,35.028,33.017,36]hexatriaconta-2(21),3,7,9,11,13(36),14,16,19,23,25,27(35),28,30,32-pentadecaene (CID 156680765) is 15,25-dimethyl-18,22-diphenyl-20-propan-2-yl-6,34-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.07,12.027,35.028,33.017,36]hexatriaconta-2(21),3,7,9,11,13(36),14,16,19,23,25,27(35),28,30,32-pentadecaene.

What is the SMILES notation for 15,25-dimethyl-18,22-diphenyl-20-propan-2-yl-6,34-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.07,12.027,35.028,33.017,36]hexatriaconta-2(21),3,7,9,11,13(36),14,16,19,23,25,27(35),28,30,32-pentadecaene?

The canonical SMILES for 15,25-dimethyl-18,22-diphenyl-20-propan-2-yl-6,34-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.07,12.027,35.028,33.017,36]hexatriaconta-2(21),3,7,9,11,13(36),14,16,19,23,25,27(35),28,30,32-pentadecaene is Cc1cc2c3c(c1)N(c1ccccc1)c1c(cc4c(c1C(C)C)N(c1ccccc1)c1cc(C)cc5c1B4Oc1ccccc1-5)B3Oc1ccccc1-2.

What is the InChIKey of 15,25-dimethyl-18,22-diphenyl-20-propan-2-yl-6,34-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.07,12.027,35.028,33.017,36]hexatriaconta-2(21),3,7,9,11,13(36),14,16,19,23,25,27(35),28,30,32-pentadecaene?

The InChIKey is QOUSJLLDRYVGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36B2N2O2/c1-28(2)43-46-37(48-44-35(33-19-11-13-21-41(33)52-48)23-29(3)25-39(44)50(46)31-15-7-5-8-16-31)27-38-47(43)51(32-17-9-6-10-18-32)40-26-30(4)24-36-34-20-12-14-22-42(34)53-49(38)45(36)40/h5-28H,1-4H3.

What are the key properties of 15,25-dimethyl-18,22-diphenyl-20-propan-2-yl-6,34-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.07,12.027,35.028,33.017,36]hexatriaconta-2(21),3,7,9,11,13(36),14,16,19,23,25,27(35),28,30,32-pentadecaene?

15,25-dimethyl-18,22-diphenyl-20-propan-2-yl-6,34-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.07,12.027,35.028,33.017,36]hexatriaconta-2(21),3,7,9,11,13(36),14,16,19,23,25,27(35),28,30,32-pentadecaene has a molecular weight of 682.44 g/mol, XLogP of 9.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15,25-dimethyl-18,22-diphenyl-20-propan-2-yl-6,34-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.07,12.027,35.028,33.017,36]hexatriaconta-2(21),3,7,9,11,13(36),14,16,19,23,25,27(35),28,30,32-pentadecaene is sourced from PubChem (CID 156680765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).