30,46,46-triphenyl-1,7,26,30-tetraza-46-sila-19,40-diborahexadecacyclo[39.11.1.12,6.17,14.03,40.04,26.05,19.08,13.020,25.024,28.027,39.029,37.031,36.045,53.047,52.018,54]pentapentaconta-2,4,6(55),8,10,12,14,16,18(54),20(25),21,23,27,29(37),31,33,35,38,41(53),42,44,47,49,51-tetracosaene

C66H38B2N4Si — CID 176762123

About 30,46,46-triphenyl-1,7,26,30-tetraza-46-sila-19,40-diborahexadecacyclo[39.11.1.12,6.17,14.03,40.04,26.05,19.08,13.020,25.024,28.027,39.029,37.031,36.045,53.047,52.018,54]pentapentaconta-2,4,6(55),8,10,12,14,16,18(54),20(25),21,23,27,29(37),31,33,35,38,41(53),42,44,47,49,51-tetracosaene

30,46,46-triphenyl-1,7,26,30-tetraza-46-sila-19,40-diborahexadecacyclo[39.11.1.12,6.17,14.03,40.04,26.05,19.08,13.020,25.024,28.027,39.029,37.031,36.045,53.047,52.018,54]pentapentaconta-2,4,6(55),8,10,12,14,16,18(54),20(25),21,23,27,29(37),31,33,35,38,41(53),42,44,47,49,51-tetracosaene (PubChem CID 176762123) has the molecular formula C66H38B2N4Si and a molecular weight of 936.77 g/mol. Its IUPAC name is 30,46,46-triphenyl-1,7,26,30-tetraza-46-sila-19,40-diborahexadecacyclo[39.11.1.12,6.17,14.03,40.04,26.05,19.08,13.020,25.024,28.027,39.029,37.031,36.045,53.047,52.018,54]pentapentaconta-2,4,6(55),8,10,12,14,16,18(54),20(25),21,23,27,29(37),31,33,35,38,41(53),42,44,47,49,51-tetracosaene.

Molecular Properties

• Compound Name: 30,46,46-triphenyl-1,7,26,30-tetraza-46-sila-19,40-diborahexadecacyclo[39.11.1.12,6.17,14.03,40.04,26.05,19.08,13.020,25.024,28.027,39.029,37.031,36.045,53.047,52.018,54]pentapentaconta-2,4,6(55),8,10,12,14,16,18(54),20(25),21,23,27,29(37),31,33,35,38,41(53),42,44,47,49,51-tetracosaene
• PubChem CID: 176762123
• Molecular Formula: C66H38B2N4Si
• Molecular Weight: 936.77 g/mol
• Exact Mass: 936.31
• IUPAC Name: 30,46,46-triphenyl-1,7,26,30-tetraza-46-sila-19,40-diborahexadecacyclo[39.11.1.12,6.17,14.03,40.04,26.05,19.08,13.020,25.024,28.027,39.029,37.031,36.045,53.047,52.018,54]pentapentaconta-2,4,6(55),8,10,12,14,16,18(54),20(25),21,23,27,29(37),31,33,35,38,41(53),42,44,47,49,51-tetracosaene
• SMILES: c1ccc(-n2c3ccccc3c3cc4c5c(c6cccc7c6n5-c5c6c(cc8c5B7c5cccc7c9ccccc9n-8c57)N5c7ccccc7[Si](c7ccccc7)(c7ccccc7)c7cccc(c75)B64)c32)cc1
• InChI: InChI=1S/C66H38B2N4Si/c1-4-19-39(20-5-1)69-51-32-12-11-26-43(51)46-37-50-65-58(63(46)69)45-28-17-30-48-62(45)72(65)66-59-54(70-52-33-13-10-25-42(52)44-27-16-29-47(61(44)70)67(48)59)38-55-60(66)68(50)49-31-18-36-57-64(49)71(55)53-34-14-15-35-56(53)73(57,40-21-6-2-7-22-40)41-23-8-3-9-24-41/h1-38H
• InChIKey: JORWHNQLESSEDT-UHFFFAOYSA-N
• XLogP: 8.42
• TPSA: 18.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	936.77
LogP ≤ 5	8.42
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 30,46,46-triphenyl-1,7,26,30-tetraza-46-sila-19,40-diborahexadecacyclo[39.11.1.12,6.17,14.03,40.04,26.05,19.08,13.020,25.024,28.027,39.029,37.031,36.045,53.047,52.018,54]pentapentaconta-2,4,6(55),8,10,12,14,16,18(54),20(25),21,23,27,29(37),31,33,35,38,41(53),42,44,47,49,51-tetracosaene?

The IUPAC name of 30,46,46-triphenyl-1,7,26,30-tetraza-46-sila-19,40-diborahexadecacyclo[39.11.1.12,6.17,14.03,40.04,26.05,19.08,13.020,25.024,28.027,39.029,37.031,36.045,53.047,52.018,54]pentapentaconta-2,4,6(55),8,10,12,14,16,18(54),20(25),21,23,27,29(37),31,33,35,38,41(53),42,44,47,49,51-tetracosaene (CID 176762123) is 30,46,46-triphenyl-1,7,26,30-tetraza-46-sila-19,40-diborahexadecacyclo[39.11.1.12,6.17,14.03,40.04,26.05,19.08,13.020,25.024,28.027,39.029,37.031,36.045,53.047,52.018,54]pentapentaconta-2,4,6(55),8,10,12,14,16,18(54),20(25),21,23,27,29(37),31,33,35,38,41(53),42,44,47,49,51-tetracosaene.

What is the SMILES notation for 30,46,46-triphenyl-1,7,26,30-tetraza-46-sila-19,40-diborahexadecacyclo[39.11.1.12,6.17,14.03,40.04,26.05,19.08,13.020,25.024,28.027,39.029,37.031,36.045,53.047,52.018,54]pentapentaconta-2,4,6(55),8,10,12,14,16,18(54),20(25),21,23,27,29(37),31,33,35,38,41(53),42,44,47,49,51-tetracosaene?

The canonical SMILES for 30,46,46-triphenyl-1,7,26,30-tetraza-46-sila-19,40-diborahexadecacyclo[39.11.1.12,6.17,14.03,40.04,26.05,19.08,13.020,25.024,28.027,39.029,37.031,36.045,53.047,52.018,54]pentapentaconta-2,4,6(55),8,10,12,14,16,18(54),20(25),21,23,27,29(37),31,33,35,38,41(53),42,44,47,49,51-tetracosaene is c1ccc(-n2c3ccccc3c3cc4c5c(c6cccc7c6n5-c5c6c(cc8c5B7c5cccc7c9ccccc9n-8c57)N5c7ccccc7[Si](c7ccccc7)(c7ccccc7)c7cccc(c75)B64)c32)cc1.

What is the InChIKey of 30,46,46-triphenyl-1,7,26,30-tetraza-46-sila-19,40-diborahexadecacyclo[39.11.1.12,6.17,14.03,40.04,26.05,19.08,13.020,25.024,28.027,39.029,37.031,36.045,53.047,52.018,54]pentapentaconta-2,4,6(55),8,10,12,14,16,18(54),20(25),21,23,27,29(37),31,33,35,38,41(53),42,44,47,49,51-tetracosaene?

The InChIKey is JORWHNQLESSEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38B2N4Si/c1-4-19-39(20-5-1)69-51-32-12-11-26-43(51)46-37-50-65-58(63(46)69)45-28-17-30-48-62(45)72(65)66-59-54(70-52-33-13-10-25-42(52)44-27-16-29-47(61(44)70)67(48)59)38-55-60(66)68(50)49-31-18-36-57-64(49)71(55)53-34-14-15-35-56(53)73(57,40-21-6-2-7-22-40)41-23-8-3-9-24-41/h1-38H.

What are the key properties of 30,46,46-triphenyl-1,7,26,30-tetraza-46-sila-19,40-diborahexadecacyclo[39.11.1.12,6.17,14.03,40.04,26.05,19.08,13.020,25.024,28.027,39.029,37.031,36.045,53.047,52.018,54]pentapentaconta-2,4,6(55),8,10,12,14,16,18(54),20(25),21,23,27,29(37),31,33,35,38,41(53),42,44,47,49,51-tetracosaene?

30,46,46-triphenyl-1,7,26,30-tetraza-46-sila-19,40-diborahexadecacyclo[39.11.1.12,6.17,14.03,40.04,26.05,19.08,13.020,25.024,28.027,39.029,37.031,36.045,53.047,52.018,54]pentapentaconta-2,4,6(55),8,10,12,14,16,18(54),20(25),21,23,27,29(37),31,33,35,38,41(53),42,44,47,49,51-tetracosaene has a molecular weight of 936.77 g/mol, XLogP of 8.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 30,46,46-triphenyl-1,7,26,30-tetraza-46-sila-19,40-diborahexadecacyclo[39.11.1.12,6.17,14.03,40.04,26.05,19.08,13.020,25.024,28.027,39.029,37.031,36.045,53.047,52.018,54]pentapentaconta-2,4,6(55),8,10,12,14,16,18(54),20(25),21,23,27,29(37),31,33,35,38,41(53),42,44,47,49,51-tetracosaene is sourced from PubChem (CID 176762123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).