15,25-difluoro-18,22,28-triphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene

C48H29B2F2N3O — CID 161044986

About 15,25-difluoro-18,22,28-triphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene

15,25-difluoro-18,22,28-triphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene (PubChem CID 161044986) has the molecular formula C48H29B2F2N3O and a molecular weight of 723.40 g/mol. Its IUPAC name is 15,25-difluoro-18,22,28-triphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene.

Molecular Properties

• Compound Name: 15,25-difluoro-18,22,28-triphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene
• PubChem CID: 161044986
• Molecular Formula: C48H29B2F2N3O
• Molecular Weight: 723.40 g/mol
• Exact Mass: 723.25
• IUPAC Name: 15,25-difluoro-18,22,28-triphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene
• SMILES: Fc1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1O2)B1c2ccccc2N(c2ccccc2)c2cc(F)cc(c21)N4c1ccccc1
• InChI: InChI=1S/C48H29B2F2N3O/c51-30-24-42-47-43(25-30)54(33-16-6-2-7-17-33)40-29-41-38(28-37(40)49(47)35-20-10-12-22-39(35)53(42)32-14-4-1-5-15-32)50-36-21-11-13-23-45(36)56-46-27-31(52)26-44(48(46)50)55(41)34-18-8-3-9-19-34/h1-29H
• InChIKey: ZDFXDHNUTATZBH-UHFFFAOYSA-N
• XLogP: 8.45
• TPSA: 18.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.40
LogP ≤ 5	8.45
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-difluoro-18,22,28-triphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene?

The IUPAC name of 15,25-difluoro-18,22,28-triphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene (CID 161044986) is 15,25-difluoro-18,22,28-triphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene.

What is the SMILES notation for 15,25-difluoro-18,22,28-triphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene?

The canonical SMILES for 15,25-difluoro-18,22,28-triphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene is Fc1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1O2)B1c2ccccc2N(c2ccccc2)c2cc(F)cc(c21)N4c1ccccc1.

What is the InChIKey of 15,25-difluoro-18,22,28-triphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene?

The InChIKey is ZDFXDHNUTATZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29B2F2N3O/c51-30-24-42-47-43(25-30)54(33-16-6-2-7-17-33)40-29-41-38(28-37(40)49(47)35-20-10-12-22-39(35)53(42)32-14-4-1-5-15-32)50-36-21-11-13-23-45(36)56-46-27-31(52)26-44(48(46)50)55(41)34-18-8-3-9-19-34/h1-29H.

What are the key properties of 15,25-difluoro-18,22,28-triphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene?

15,25-difluoro-18,22,28-triphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene has a molecular weight of 723.40 g/mol, XLogP of 8.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15,25-difluoro-18,22,28-triphenyl-12-oxa-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene is sourced from PubChem (CID 161044986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).