23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7,9,11,14,16,18(32),20(25),21,23,27(33),28,30-pentadecaene

C61H49BN4 — CID 176813426

About 23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7,9,11,14,16,18(32),20(25),21,23,27(33),28,30-pentadecaene

23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7,9,11,14,16,18(32),20(25),21,23,27(33),28,30-pentadecaene (PubChem CID 176813426) has the molecular formula C61H49BN4 and a molecular weight of 848.90 g/mol. Its IUPAC name is 23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7,9,11,14,16,18(32),20(25),21,23,27(33),28,30-pentadecaene.

Molecular Properties

• Compound Name: 23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7,9,11,14,16,18(32),20(25),21,23,27(33),28,30-pentadecaene
• PubChem CID: 176813426
• Molecular Formula: C61H49BN4
• Molecular Weight: 848.90 g/mol
• Exact Mass: 848.41
• IUPAC Name: 23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7,9,11,14,16,18(32),20(25),21,23,27(33),28,30-pentadecaene
• SMILES: Cc1cc2c3c(c1)N1c4c(cccc4-n4c5ccccc5c5cccc1c54)B3c1ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc1N2c1cccc2ccccc12
• InChI: InChI=1S/C61H49BN4/c1-36-31-55-57-56(32-36)66-52-23-13-19-43-42-18-10-11-21-49(42)65(58(43)52)53-24-14-20-47(59(53)66)62(57)46-28-27-40(35-54(46)64(55)48-22-12-16-37-15-8-9-17-41(37)48)63-50-29-25-38(60(2,3)4)33-44(50)45-34-39(61(5,6)7)26-30-51(45)63/h8-35H,1-7H3
• InChIKey: NZHOSLIXINIUDZ-UHFFFAOYSA-N
• XLogP: 14.33
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.90
LogP ≤ 5	14.33
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 23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7,9,11,14,16,18(32),20(25),21,23,27(33),28,30-pentadecaene?

The IUPAC name of 23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7,9,11,14,16,18(32),20(25),21,23,27(33),28,30-pentadecaene (CID 176813426) is 23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7,9,11,14,16,18(32),20(25),21,23,27(33),28,30-pentadecaene.

What is the SMILES notation for 23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7,9,11,14,16,18(32),20(25),21,23,27(33),28,30-pentadecaene?

The canonical SMILES for 23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7,9,11,14,16,18(32),20(25),21,23,27(33),28,30-pentadecaene is Cc1cc2c3c(c1)N1c4c(cccc4-n4c5ccccc5c5cccc1c54)B3c1ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc1N2c1cccc2ccccc12.

What is the InChIKey of 23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7,9,11,14,16,18(32),20(25),21,23,27(33),28,30-pentadecaene?

The InChIKey is NZHOSLIXINIUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49BN4/c1-36-31-55-57-56(32-36)66-52-23-13-19-43-42-18-10-11-21-49(42)65(58(43)52)53-24-14-20-47(59(53)66)62(57)46-28-27-40(35-54(46)64(55)48-22-12-16-37-15-8-9-17-41(37)48)63-50-29-25-38(60(2,3)4)33-44(50)45-34-39(61(5,6)7)26-30-51(45)63/h8-35H,1-7H3.

What are the key properties of 23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7,9,11,14,16,18(32),20(25),21,23,27(33),28,30-pentadecaene?

23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7,9,11,14,16,18(32),20(25),21,23,27(33),28,30-pentadecaene has a molecular weight of 848.90 g/mol, XLogP of 14.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 23-(3,6-ditert-butylcarbazol-9-yl)-29-methyl-26-naphthalen-1-yl-1,13,26-triaza-19-boranonacyclo[16.13.1.12,6.119,27.07,12.014,32.020,25.013,34.031,33]tetratriaconta-2,4,6(34),7,9,11,14,16,18(32),20(25),21,23,27(33),28,30-pentadecaene is sourced from PubChem (CID 176813426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).