10,16,30,36-tetraphenyl-10,16,26,30,36-pentaza-3,43-diboratridecacyclo[24.20.1.13,11.131,35.02,17.04,9.019,47.020,25.027,46.029,44.037,42.015,49.043,48]nonatetraconta-1(47),2(17),4,6,8,11(49),12,14,18,20,22,24,27(46),28,31,33,35(48),37,39,41,44-henicosaene

C66H41B2N5 — CID 167377997

About 10,16,30,36-tetraphenyl-10,16,26,30,36-pentaza-3,43-diboratridecacyclo[24.20.1.13,11.131,35.02,17.04,9.019,47.020,25.027,46.029,44.037,42.015,49.043,48]nonatetraconta-1(47),2(17),4,6,8,11(49),12,14,18,20,22,24,27(46),28,31,33,35(48),37,39,41,44-henicosaene

10,16,30,36-tetraphenyl-10,16,26,30,36-pentaza-3,43-diboratridecacyclo[24.20.1.13,11.131,35.02,17.04,9.019,47.020,25.027,46.029,44.037,42.015,49.043,48]nonatetraconta-1(47),2(17),4,6,8,11(49),12,14,18,20,22,24,27(46),28,31,33,35(48),37,39,41,44-henicosaene (PubChem CID 167377997) has the molecular formula C66H41B2N5 and a molecular weight of 925.71 g/mol. Its IUPAC name is 10,16,30,36-tetraphenyl-10,16,26,30,36-pentaza-3,43-diboratridecacyclo[24.20.1.13,11.131,35.02,17.04,9.019,47.020,25.027,46.029,44.037,42.015,49.043,48]nonatetraconta-1(47),2(17),4,6,8,11(49),12,14,18,20,22,24,27(46),28,31,33,35(48),37,39,41,44-henicosaene.

Molecular Properties

• Compound Name: 10,16,30,36-tetraphenyl-10,16,26,30,36-pentaza-3,43-diboratridecacyclo[24.20.1.13,11.131,35.02,17.04,9.019,47.020,25.027,46.029,44.037,42.015,49.043,48]nonatetraconta-1(47),2(17),4,6,8,11(49),12,14,18,20,22,24,27(46),28,31,33,35(48),37,39,41,44-henicosaene
• PubChem CID: 167377997
• Molecular Formula: C66H41B2N5
• Molecular Weight: 925.71 g/mol
• Exact Mass: 925.35
• IUPAC Name: 10,16,30,36-tetraphenyl-10,16,26,30,36-pentaza-3,43-diboratridecacyclo[24.20.1.13,11.131,35.02,17.04,9.019,47.020,25.027,46.029,44.037,42.015,49.043,48]nonatetraconta-1(47),2(17),4,6,8,11(49),12,14,18,20,22,24,27(46),28,31,33,35(48),37,39,41,44-henicosaene
• SMILES: c1ccc(N2c3ccccc3B3c4cc5c6c7c(cc8c9ccccc9n(c5cc4N(c4ccccc4)c4cccc2c43)c86)N(c2ccccc2)c2cccc3c2B7c2ccccc2N3c2ccccc2)cc1
• InChI: InChI=1S/C66H41B2N5/c1-5-21-42(22-6-1)69-53-33-17-14-30-49(53)67-51-39-48-59(41-60(51)71(44-25-9-3-10-26-44)56-36-19-35-55(69)63(56)67)73-52-32-16-13-29-46(52)47-40-61-65(62(48)66(47)73)68-50-31-15-18-34-54(50)70(43-23-7-2-8-24-43)57-37-20-38-58(64(57)68)72(61)45-27-11-4-12-28-45/h1-41H
• InChIKey: RCRSPDHSNJWNOJ-UHFFFAOYSA-N
• XLogP: 13.00
• TPSA: 17.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.71
LogP ≤ 5	13.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,16,30,36-tetraphenyl-10,16,26,30,36-pentaza-3,43-diboratridecacyclo[24.20.1.13,11.131,35.02,17.04,9.019,47.020,25.027,46.029,44.037,42.015,49.043,48]nonatetraconta-1(47),2(17),4,6,8,11(49),12,14,18,20,22,24,27(46),28,31,33,35(48),37,39,41,44-henicosaene?

The IUPAC name of 10,16,30,36-tetraphenyl-10,16,26,30,36-pentaza-3,43-diboratridecacyclo[24.20.1.13,11.131,35.02,17.04,9.019,47.020,25.027,46.029,44.037,42.015,49.043,48]nonatetraconta-1(47),2(17),4,6,8,11(49),12,14,18,20,22,24,27(46),28,31,33,35(48),37,39,41,44-henicosaene (CID 167377997) is 10,16,30,36-tetraphenyl-10,16,26,30,36-pentaza-3,43-diboratridecacyclo[24.20.1.13,11.131,35.02,17.04,9.019,47.020,25.027,46.029,44.037,42.015,49.043,48]nonatetraconta-1(47),2(17),4,6,8,11(49),12,14,18,20,22,24,27(46),28,31,33,35(48),37,39,41,44-henicosaene.

What is the SMILES notation for 10,16,30,36-tetraphenyl-10,16,26,30,36-pentaza-3,43-diboratridecacyclo[24.20.1.13,11.131,35.02,17.04,9.019,47.020,25.027,46.029,44.037,42.015,49.043,48]nonatetraconta-1(47),2(17),4,6,8,11(49),12,14,18,20,22,24,27(46),28,31,33,35(48),37,39,41,44-henicosaene?

The canonical SMILES for 10,16,30,36-tetraphenyl-10,16,26,30,36-pentaza-3,43-diboratridecacyclo[24.20.1.13,11.131,35.02,17.04,9.019,47.020,25.027,46.029,44.037,42.015,49.043,48]nonatetraconta-1(47),2(17),4,6,8,11(49),12,14,18,20,22,24,27(46),28,31,33,35(48),37,39,41,44-henicosaene is c1ccc(N2c3ccccc3B3c4cc5c6c7c(cc8c9ccccc9n(c5cc4N(c4ccccc4)c4cccc2c43)c86)N(c2ccccc2)c2cccc3c2B7c2ccccc2N3c2ccccc2)cc1.

What is the InChIKey of 10,16,30,36-tetraphenyl-10,16,26,30,36-pentaza-3,43-diboratridecacyclo[24.20.1.13,11.131,35.02,17.04,9.019,47.020,25.027,46.029,44.037,42.015,49.043,48]nonatetraconta-1(47),2(17),4,6,8,11(49),12,14,18,20,22,24,27(46),28,31,33,35(48),37,39,41,44-henicosaene?

The InChIKey is RCRSPDHSNJWNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41B2N5/c1-5-21-42(22-6-1)69-53-33-17-14-30-49(53)67-51-39-48-59(41-60(51)71(44-25-9-3-10-26-44)56-36-19-35-55(69)63(56)67)73-52-32-16-13-29-46(52)47-40-61-65(62(48)66(47)73)68-50-31-15-18-34-54(50)70(43-23-7-2-8-24-43)57-37-20-38-58(64(57)68)72(61)45-27-11-4-12-28-45/h1-41H.

What are the key properties of 10,16,30,36-tetraphenyl-10,16,26,30,36-pentaza-3,43-diboratridecacyclo[24.20.1.13,11.131,35.02,17.04,9.019,47.020,25.027,46.029,44.037,42.015,49.043,48]nonatetraconta-1(47),2(17),4,6,8,11(49),12,14,18,20,22,24,27(46),28,31,33,35(48),37,39,41,44-henicosaene?

10,16,30,36-tetraphenyl-10,16,26,30,36-pentaza-3,43-diboratridecacyclo[24.20.1.13,11.131,35.02,17.04,9.019,47.020,25.027,46.029,44.037,42.015,49.043,48]nonatetraconta-1(47),2(17),4,6,8,11(49),12,14,18,20,22,24,27(46),28,31,33,35(48),37,39,41,44-henicosaene has a molecular weight of 925.71 g/mol, XLogP of 13.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10,16,30,36-tetraphenyl-10,16,26,30,36-pentaza-3,43-diboratridecacyclo[24.20.1.13,11.131,35.02,17.04,9.019,47.020,25.027,46.029,44.037,42.015,49.043,48]nonatetraconta-1(47),2(17),4,6,8,11(49),12,14,18,20,22,24,27(46),28,31,33,35(48),37,39,41,44-henicosaene is sourced from PubChem (CID 167377997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).