8,13,19,24-tetratert-butyl-16-(4-tert-butylphenyl)-31-carbazol-9-yl-11,21-dioxa-4,16,28-triaza-1-boradecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene

C68H67BN4O2 — CID 140848841

About 8,13,19,24-tetratert-butyl-16-(4-tert-butylphenyl)-31-carbazol-9-yl-11,21-dioxa-4,16,28-triaza-1-boradecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene

8,13,19,24-tetratert-butyl-16-(4-tert-butylphenyl)-31-carbazol-9-yl-11,21-dioxa-4,16,28-triaza-1-boradecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene (PubChem CID 140848841) has the molecular formula C68H67BN4O2 and a molecular weight of 983.12 g/mol. Its IUPAC name is 8,13,19,24-tetratert-butyl-16-(4-tert-butylphenyl)-31-carbazol-9-yl-11,21-dioxa-4,16,28-triaza-1-boradecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene.

Molecular Properties

• Compound Name: 8,13,19,24-tetratert-butyl-16-(4-tert-butylphenyl)-31-carbazol-9-yl-11,21-dioxa-4,16,28-triaza-1-boradecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene
• PubChem CID: 140848841
• Molecular Formula: C68H67BN4O2
• Molecular Weight: 983.12 g/mol
• Exact Mass: 982.54
• IUPAC Name: 8,13,19,24-tetratert-butyl-16-(4-tert-butylphenyl)-31-carbazol-9-yl-11,21-dioxa-4,16,28-triaza-1-boradecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene
• SMILES: CC(C)(C)c1ccc(N2c3cc(C(C)(C)C)c4c5c3B3c6c(cc(-n7c8ccccc8c8ccccc87)cc6N6c7ccc(C(C)(C)C)cc7Oc7c(C(C)(C)C)cc2c3c76)N5c2ccc(C(C)(C)C)cc2O4)cc1
• InChI: InChI=1S/C68H67BN4O2/c1-64(2,3)38-24-28-41(29-25-38)70-53-36-45(67(10,11)12)62-60-58(53)69-57-51(72(60)49-30-26-39(65(4,5)6)32-55(49)74-62)34-42(71-47-22-18-16-20-43(47)44-21-17-19-23-48(44)71)35-52(57)73-50-31-27-40(66(7,8)9)33-56(50)75-63-46(68(13,14)15)37-54(70)59(69)61(63)73/h16-37H,1-15H3
• InChIKey: RNAOTFNTONRWRG-UHFFFAOYSA-N
• XLogP: 17.35
• TPSA: 33.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	983.12
LogP ≤ 5	17.35
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 8,13,19,24-tetratert-butyl-16-(4-tert-butylphenyl)-31-carbazol-9-yl-11,21-dioxa-4,16,28-triaza-1-boradecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene?

The IUPAC name of 8,13,19,24-tetratert-butyl-16-(4-tert-butylphenyl)-31-carbazol-9-yl-11,21-dioxa-4,16,28-triaza-1-boradecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene (CID 140848841) is 8,13,19,24-tetratert-butyl-16-(4-tert-butylphenyl)-31-carbazol-9-yl-11,21-dioxa-4,16,28-triaza-1-boradecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene.

What is the SMILES notation for 8,13,19,24-tetratert-butyl-16-(4-tert-butylphenyl)-31-carbazol-9-yl-11,21-dioxa-4,16,28-triaza-1-boradecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene?

The canonical SMILES for 8,13,19,24-tetratert-butyl-16-(4-tert-butylphenyl)-31-carbazol-9-yl-11,21-dioxa-4,16,28-triaza-1-boradecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene is CC(C)(C)c1ccc(N2c3cc(C(C)(C)C)c4c5c3B3c6c(cc(-n7c8ccccc8c8ccccc87)cc6N6c7ccc(C(C)(C)C)cc7Oc7c(C(C)(C)C)cc2c3c76)N5c2ccc(C(C)(C)C)cc2O4)cc1.

What is the InChIKey of 8,13,19,24-tetratert-butyl-16-(4-tert-butylphenyl)-31-carbazol-9-yl-11,21-dioxa-4,16,28-triaza-1-boradecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene?

The InChIKey is RNAOTFNTONRWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H67BN4O2/c1-64(2,3)38-24-28-41(29-25-38)70-53-36-45(67(10,11)12)62-60-58(53)69-57-51(72(60)49-30-26-39(65(4,5)6)32-55(49)74-62)34-42(71-47-22-18-16-20-43(47)44-21-17-19-23-48(44)71)35-52(57)73-50-31-27-40(66(7,8)9)33-56(50)75-63-46(68(13,14)15)37-54(70)59(69)61(63)73/h16-37H,1-15H3.

What are the key properties of 8,13,19,24-tetratert-butyl-16-(4-tert-butylphenyl)-31-carbazol-9-yl-11,21-dioxa-4,16,28-triaza-1-boradecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene?

8,13,19,24-tetratert-butyl-16-(4-tert-butylphenyl)-31-carbazol-9-yl-11,21-dioxa-4,16,28-triaza-1-boradecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene has a molecular weight of 983.12 g/mol, XLogP of 17.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8,13,19,24-tetratert-butyl-16-(4-tert-butylphenyl)-31-carbazol-9-yl-11,21-dioxa-4,16,28-triaza-1-boradecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene is sourced from PubChem (CID 140848841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).