24-benzo[c]carbazol-7-yl-21,27-diaza-1-boratetradecacyclo[24.22.1.12,10.129,42.04,9.011,20.012,17.022,49.027,31.028,48.030,35.036,41.021,51.046,50]henpentaconta-2,4,6,8,10(51),11(20),12,14,16,18,22,24,26(49),28,30(35),31,33,36,38,40,42,44,46(50),47-tetracosaene

C64H34BN3 — CID 176826097

About 24-benzo[c]carbazol-7-yl-21,27-diaza-1-boratetradecacyclo[24.22.1.12,10.129,42.04,9.011,20.012,17.022,49.027,31.028,48.030,35.036,41.021,51.046,50]henpentaconta-2,4,6,8,10(51),11(20),12,14,16,18,22,24,26(49),28,30(35),31,33,36,38,40,42,44,46(50),47-tetracosaene

24-benzo[c]carbazol-7-yl-21,27-diaza-1-boratetradecacyclo[24.22.1.12,10.129,42.04,9.011,20.012,17.022,49.027,31.028,48.030,35.036,41.021,51.046,50]henpentaconta-2,4,6,8,10(51),11(20),12,14,16,18,22,24,26(49),28,30(35),31,33,36,38,40,42,44,46(50),47-tetracosaene (PubChem CID 176826097) has the molecular formula C64H34BN3 and a molecular weight of 855.81 g/mol. Its IUPAC name is 24-benzo[c]carbazol-7-yl-21,27-diaza-1-boratetradecacyclo[24.22.1.12,10.129,42.04,9.011,20.012,17.022,49.027,31.028,48.030,35.036,41.021,51.046,50]henpentaconta-2,4,6,8,10(51),11(20),12,14,16,18,22,24,26(49),28,30(35),31,33,36,38,40,42,44,46(50),47-tetracosaene.

Molecular Properties

• Compound Name: 24-benzo[c]carbazol-7-yl-21,27-diaza-1-boratetradecacyclo[24.22.1.12,10.129,42.04,9.011,20.012,17.022,49.027,31.028,48.030,35.036,41.021,51.046,50]henpentaconta-2,4,6,8,10(51),11(20),12,14,16,18,22,24,26(49),28,30(35),31,33,36,38,40,42,44,46(50),47-tetracosaene
• PubChem CID: 176826097
• Molecular Formula: C64H34BN3
• Molecular Weight: 855.81 g/mol
• Exact Mass: 855.28
• IUPAC Name: 24-benzo[c]carbazol-7-yl-21,27-diaza-1-boratetradecacyclo[24.22.1.12,10.129,42.04,9.011,20.012,17.022,49.027,31.028,48.030,35.036,41.021,51.046,50]henpentaconta-2,4,6,8,10(51),11(20),12,14,16,18,22,24,26(49),28,30(35),31,33,36,38,40,42,44,46(50),47-tetracosaene
• SMILES: c1ccc2c(c1)-c1cccc3cc4c5c(c13)c1c-2cccc1n5-c1cc(-n2c3ccccc3c3c5ccccc5ccc32)cc2c1B4c1cc3ccccc3c3c4c5ccccc5ccc4n-2c13
• InChI: InChI=1S/C64H34BN3/c1-4-17-40-35(13-1)27-29-52-57(40)47-22-9-10-25-50(47)66(52)39-33-54-62-55(34-39)68-53-30-28-36-14-2-5-18-41(36)58(53)60-42-19-6-3-15-37(42)31-48(63(60)68)65(62)49-32-38-16-11-23-45-43-20-7-8-21-44(43)46-24-12-26-51-59(46)61(56(38)45)64(49)67(51)54/h1-34H
• InChIKey: STWQWFHMPWLILC-UHFFFAOYSA-N
• XLogP: 14.38
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.81
LogP ≤ 5	14.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 24-benzo[c]carbazol-7-yl-21,27-diaza-1-boratetradecacyclo[24.22.1.12,10.129,42.04,9.011,20.012,17.022,49.027,31.028,48.030,35.036,41.021,51.046,50]henpentaconta-2,4,6,8,10(51),11(20),12,14,16,18,22,24,26(49),28,30(35),31,33,36,38,40,42,44,46(50),47-tetracosaene?

The IUPAC name of 24-benzo[c]carbazol-7-yl-21,27-diaza-1-boratetradecacyclo[24.22.1.12,10.129,42.04,9.011,20.012,17.022,49.027,31.028,48.030,35.036,41.021,51.046,50]henpentaconta-2,4,6,8,10(51),11(20),12,14,16,18,22,24,26(49),28,30(35),31,33,36,38,40,42,44,46(50),47-tetracosaene (CID 176826097) is 24-benzo[c]carbazol-7-yl-21,27-diaza-1-boratetradecacyclo[24.22.1.12,10.129,42.04,9.011,20.012,17.022,49.027,31.028,48.030,35.036,41.021,51.046,50]henpentaconta-2,4,6,8,10(51),11(20),12,14,16,18,22,24,26(49),28,30(35),31,33,36,38,40,42,44,46(50),47-tetracosaene.

What is the SMILES notation for 24-benzo[c]carbazol-7-yl-21,27-diaza-1-boratetradecacyclo[24.22.1.12,10.129,42.04,9.011,20.012,17.022,49.027,31.028,48.030,35.036,41.021,51.046,50]henpentaconta-2,4,6,8,10(51),11(20),12,14,16,18,22,24,26(49),28,30(35),31,33,36,38,40,42,44,46(50),47-tetracosaene?

The canonical SMILES for 24-benzo[c]carbazol-7-yl-21,27-diaza-1-boratetradecacyclo[24.22.1.12,10.129,42.04,9.011,20.012,17.022,49.027,31.028,48.030,35.036,41.021,51.046,50]henpentaconta-2,4,6,8,10(51),11(20),12,14,16,18,22,24,26(49),28,30(35),31,33,36,38,40,42,44,46(50),47-tetracosaene is c1ccc2c(c1)-c1cccc3cc4c5c(c13)c1c-2cccc1n5-c1cc(-n2c3ccccc3c3c5ccccc5ccc32)cc2c1B4c1cc3ccccc3c3c4c5ccccc5ccc4n-2c13.

What is the InChIKey of 24-benzo[c]carbazol-7-yl-21,27-diaza-1-boratetradecacyclo[24.22.1.12,10.129,42.04,9.011,20.012,17.022,49.027,31.028,48.030,35.036,41.021,51.046,50]henpentaconta-2,4,6,8,10(51),11(20),12,14,16,18,22,24,26(49),28,30(35),31,33,36,38,40,42,44,46(50),47-tetracosaene?

The InChIKey is STWQWFHMPWLILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H34BN3/c1-4-17-40-35(13-1)27-29-52-57(40)47-22-9-10-25-50(47)66(52)39-33-54-62-55(34-39)68-53-30-28-36-14-2-5-18-41(36)58(53)60-42-19-6-3-15-37(42)31-48(63(60)68)65(62)49-32-38-16-11-23-45-43-20-7-8-21-44(43)46-24-12-26-51-59(46)61(56(38)45)64(49)67(51)54/h1-34H.

What are the key properties of 24-benzo[c]carbazol-7-yl-21,27-diaza-1-boratetradecacyclo[24.22.1.12,10.129,42.04,9.011,20.012,17.022,49.027,31.028,48.030,35.036,41.021,51.046,50]henpentaconta-2,4,6,8,10(51),11(20),12,14,16,18,22,24,26(49),28,30(35),31,33,36,38,40,42,44,46(50),47-tetracosaene?

24-benzo[c]carbazol-7-yl-21,27-diaza-1-boratetradecacyclo[24.22.1.12,10.129,42.04,9.011,20.012,17.022,49.027,31.028,48.030,35.036,41.021,51.046,50]henpentaconta-2,4,6,8,10(51),11(20),12,14,16,18,22,24,26(49),28,30(35),31,33,36,38,40,42,44,46(50),47-tetracosaene has a molecular weight of 855.81 g/mol, XLogP of 14.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 24-benzo[c]carbazol-7-yl-21,27-diaza-1-boratetradecacyclo[24.22.1.12,10.129,42.04,9.011,20.012,17.022,49.027,31.028,48.030,35.036,41.021,51.046,50]henpentaconta-2,4,6,8,10(51),11(20),12,14,16,18,22,24,26(49),28,30(35),31,33,36,38,40,42,44,46(50),47-tetracosaene is sourced from PubChem (CID 176826097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).