25-tert-butyl-15-carbazol-9-yl-28-phenyl-12,18,22,36-tetraoxa-28-aza-1,5-diboradecacyclo[21.11.1.15,13.17,33.02,21.04,19.06,11.027,35.029,34.017,37]heptatriaconta-2,4(19),6,8,10,13(37),14,16,20,23,25,27(35),29(34),30,32-pentadecaene

C52H34B2N2O4 — CID 161253765

About 25-tert-butyl-15-carbazol-9-yl-28-phenyl-12,18,22,36-tetraoxa-28-aza-1,5-diboradecacyclo[21.11.1.15,13.17,33.02,21.04,19.06,11.027,35.029,34.017,37]heptatriaconta-2,4(19),6,8,10,13(37),14,16,20,23,25,27(35),29(34),30,32-pentadecaene

25-tert-butyl-15-carbazol-9-yl-28-phenyl-12,18,22,36-tetraoxa-28-aza-1,5-diboradecacyclo[21.11.1.15,13.17,33.02,21.04,19.06,11.027,35.029,34.017,37]heptatriaconta-2,4(19),6,8,10,13(37),14,16,20,23,25,27(35),29(34),30,32-pentadecaene (PubChem CID 161253765) has the molecular formula C52H34B2N2O4 and a molecular weight of 772.48 g/mol. Its IUPAC name is 25-tert-butyl-15-carbazol-9-yl-28-phenyl-12,18,22,36-tetraoxa-28-aza-1,5-diboradecacyclo[21.11.1.15,13.17,33.02,21.04,19.06,11.027,35.029,34.017,37]heptatriaconta-2,4(19),6,8,10,13(37),14,16,20,23,25,27(35),29(34),30,32-pentadecaene.

Molecular Properties

• Compound Name: 25-tert-butyl-15-carbazol-9-yl-28-phenyl-12,18,22,36-tetraoxa-28-aza-1,5-diboradecacyclo[21.11.1.15,13.17,33.02,21.04,19.06,11.027,35.029,34.017,37]heptatriaconta-2,4(19),6,8,10,13(37),14,16,20,23,25,27(35),29(34),30,32-pentadecaene
• PubChem CID: 161253765
• Molecular Formula: C52H34B2N2O4
• Molecular Weight: 772.48 g/mol
• Exact Mass: 772.27
• IUPAC Name: 25-tert-butyl-15-carbazol-9-yl-28-phenyl-12,18,22,36-tetraoxa-28-aza-1,5-diboradecacyclo[21.11.1.15,13.17,33.02,21.04,19.06,11.027,35.029,34.017,37]heptatriaconta-2,4(19),6,8,10,13(37),14,16,20,23,25,27(35),29(34),30,32-pentadecaene
• SMILES: CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cccc4c1B3c1cc3c(cc1O2)Oc1cc(-n2c5ccccc5c5ccccc52)cc2c1B3c1c(cccc1O4)O2
• InChI: InChI=1S/C52H34B2N2O4/c1-52(2,3)29-23-39-49-45(24-29)59-43-28-44-35-27-34(43)53(49)48-38(55(39)30-13-5-4-6-14-30)19-11-20-40(48)57-41-21-12-22-42-50(41)54(35)51-46(58-42)25-31(26-47(51)60-44)56-36-17-9-7-15-32(36)33-16-8-10-18-37(33)56/h4-28H,1-3H3
• InChIKey: AFYWJOJDGWQOSP-UHFFFAOYSA-N
• XLogP: 9.32
• TPSA: 45.09 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.48
LogP ≤ 5	9.32
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 25-tert-butyl-15-carbazol-9-yl-28-phenyl-12,18,22,36-tetraoxa-28-aza-1,5-diboradecacyclo[21.11.1.15,13.17,33.02,21.04,19.06,11.027,35.029,34.017,37]heptatriaconta-2,4(19),6,8,10,13(37),14,16,20,23,25,27(35),29(34),30,32-pentadecaene?

The IUPAC name of 25-tert-butyl-15-carbazol-9-yl-28-phenyl-12,18,22,36-tetraoxa-28-aza-1,5-diboradecacyclo[21.11.1.15,13.17,33.02,21.04,19.06,11.027,35.029,34.017,37]heptatriaconta-2,4(19),6,8,10,13(37),14,16,20,23,25,27(35),29(34),30,32-pentadecaene (CID 161253765) is 25-tert-butyl-15-carbazol-9-yl-28-phenyl-12,18,22,36-tetraoxa-28-aza-1,5-diboradecacyclo[21.11.1.15,13.17,33.02,21.04,19.06,11.027,35.029,34.017,37]heptatriaconta-2,4(19),6,8,10,13(37),14,16,20,23,25,27(35),29(34),30,32-pentadecaene.

What is the SMILES notation for 25-tert-butyl-15-carbazol-9-yl-28-phenyl-12,18,22,36-tetraoxa-28-aza-1,5-diboradecacyclo[21.11.1.15,13.17,33.02,21.04,19.06,11.027,35.029,34.017,37]heptatriaconta-2,4(19),6,8,10,13(37),14,16,20,23,25,27(35),29(34),30,32-pentadecaene?

The canonical SMILES for 25-tert-butyl-15-carbazol-9-yl-28-phenyl-12,18,22,36-tetraoxa-28-aza-1,5-diboradecacyclo[21.11.1.15,13.17,33.02,21.04,19.06,11.027,35.029,34.017,37]heptatriaconta-2,4(19),6,8,10,13(37),14,16,20,23,25,27(35),29(34),30,32-pentadecaene is CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cccc4c1B3c1cc3c(cc1O2)Oc1cc(-n2c5ccccc5c5ccccc52)cc2c1B3c1c(cccc1O4)O2.

What is the InChIKey of 25-tert-butyl-15-carbazol-9-yl-28-phenyl-12,18,22,36-tetraoxa-28-aza-1,5-diboradecacyclo[21.11.1.15,13.17,33.02,21.04,19.06,11.027,35.029,34.017,37]heptatriaconta-2,4(19),6,8,10,13(37),14,16,20,23,25,27(35),29(34),30,32-pentadecaene?

The InChIKey is AFYWJOJDGWQOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34B2N2O4/c1-52(2,3)29-23-39-49-45(24-29)59-43-28-44-35-27-34(43)53(49)48-38(55(39)30-13-5-4-6-14-30)19-11-20-40(48)57-41-21-12-22-42-50(41)54(35)51-46(58-42)25-31(26-47(51)60-44)56-36-17-9-7-15-32(36)33-16-8-10-18-37(33)56/h4-28H,1-3H3.

What are the key properties of 25-tert-butyl-15-carbazol-9-yl-28-phenyl-12,18,22,36-tetraoxa-28-aza-1,5-diboradecacyclo[21.11.1.15,13.17,33.02,21.04,19.06,11.027,35.029,34.017,37]heptatriaconta-2,4(19),6,8,10,13(37),14,16,20,23,25,27(35),29(34),30,32-pentadecaene?

25-tert-butyl-15-carbazol-9-yl-28-phenyl-12,18,22,36-tetraoxa-28-aza-1,5-diboradecacyclo[21.11.1.15,13.17,33.02,21.04,19.06,11.027,35.029,34.017,37]heptatriaconta-2,4(19),6,8,10,13(37),14,16,20,23,25,27(35),29(34),30,32-pentadecaene has a molecular weight of 772.48 g/mol, XLogP of 9.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 25-tert-butyl-15-carbazol-9-yl-28-phenyl-12,18,22,36-tetraoxa-28-aza-1,5-diboradecacyclo[21.11.1.15,13.17,33.02,21.04,19.06,11.027,35.029,34.017,37]heptatriaconta-2,4(19),6,8,10,13(37),14,16,20,23,25,27(35),29(34),30,32-pentadecaene is sourced from PubChem (CID 161253765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).