12,18,22,28-tetraphenyl-12,14,18,20,22,28-hexaza-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

C52H34B2N6 — CID 169021169

About 12,18,22,28-tetraphenyl-12,14,18,20,22,28-hexaza-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

12,18,22,28-tetraphenyl-12,14,18,20,22,28-hexaza-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 169021169) has the molecular formula C52H34B2N6 and a molecular weight of 764.51 g/mol. Its IUPAC name is 12,18,22,28-tetraphenyl-12,14,18,20,22,28-hexaza-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: 12,18,22,28-tetraphenyl-12,14,18,20,22,28-hexaza-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: 169021169
• Molecular Formula: C52H34B2N6
• Molecular Weight: 764.51 g/mol
• Exact Mass: 764.30
• IUPAC Name: 12,18,22,28-tetraphenyl-12,14,18,20,22,28-hexaza-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: c1ccc(N2c3ccccc3B3c4cc5c(nc4N(c4ccccc4)c4cccc2c43)N(c2ccccc2)c2ccnc3c2B5c2ccccc2N3c2ccccc2)cc1
• InChI: InChI=1S/C52H34B2N6/c1-5-18-35(19-6-1)57-43-28-15-13-26-39(43)53-41-34-42-51(56-50(41)59(37-22-9-3-10-23-37)46-31-17-30-45(57)48(46)53)60(38-24-11-4-12-25-38)47-32-33-55-52-49(47)54(42)40-27-14-16-29-44(40)58(52)36-20-7-2-8-21-36/h1-34H
• InChIKey: RJGWOBZZAPPQDY-UHFFFAOYSA-N
• XLogP: 8.64
• TPSA: 38.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.51
LogP ≤ 5	8.64
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 12,18,22,28-tetraphenyl-12,14,18,20,22,28-hexaza-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 12,18,22,28-tetraphenyl-12,14,18,20,22,28-hexaza-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 169021169) is 12,18,22,28-tetraphenyl-12,14,18,20,22,28-hexaza-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 12,18,22,28-tetraphenyl-12,14,18,20,22,28-hexaza-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 12,18,22,28-tetraphenyl-12,14,18,20,22,28-hexaza-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 c1ccc(N2c3ccccc3B3c4cc5c(nc4N(c4ccccc4)c4cccc2c43)N(c2ccccc2)c2ccnc3c2B5c2ccccc2N3c2ccccc2)cc1.

What is the InChIKey of 12,18,22,28-tetraphenyl-12,14,18,20,22,28-hexaza-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 RJGWOBZZAPPQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34B2N6/c1-5-18-35(19-6-1)57-43-28-15-13-26-39(43)53-41-34-42-51(56-50(41)59(37-22-9-3-10-23-37)46-31-17-30-45(57)48(46)53)60(38-24-11-4-12-25-38)47-32-33-55-52-49(47)54(42)40-27-14-16-29-44(40)58(52)36-20-7-2-8-21-36/h1-34H.

What are the key properties of 12,18,22,28-tetraphenyl-12,14,18,20,22,28-hexaza-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?

12,18,22,28-tetraphenyl-12,14,18,20,22,28-hexaza-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 764.51 g/mol, XLogP of 8.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12,18,22,28-tetraphenyl-12,14,18,20,22,28-hexaza-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 169021169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).