15,25-bis(4-tert-butylphenyl)-9-carbazol-9-yl-28-dibenzofuran-4-yl-18-(2,6-diphenylphenyl)-12,22-diphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene

C104H77B2N5O — CID 176617221

About 15,25-bis(4-tert-butylphenyl)-9-carbazol-9-yl-28-dibenzofuran-4-yl-18-(2,6-diphenylphenyl)-12,22-diphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene

15,25-bis(4-tert-butylphenyl)-9-carbazol-9-yl-28-dibenzofuran-4-yl-18-(2,6-diphenylphenyl)-12,22-diphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene (PubChem CID 176617221) has the molecular formula C104H77B2N5O and a molecular weight of 1434.42 g/mol. Its IUPAC name is 15,25-bis(4-tert-butylphenyl)-9-carbazol-9-yl-28-dibenzofuran-4-yl-18-(2,6-diphenylphenyl)-12,22-diphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene.

Molecular Properties

• Compound Name: 15,25-bis(4-tert-butylphenyl)-9-carbazol-9-yl-28-dibenzofuran-4-yl-18-(2,6-diphenylphenyl)-12,22-diphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene
• PubChem CID: 176617221
• Molecular Formula: C104H77B2N5O
• Molecular Weight: 1434.42 g/mol
• Exact Mass: 1433.63
• IUPAC Name: 15,25-bis(4-tert-butylphenyl)-9-carbazol-9-yl-28-dibenzofuran-4-yl-18-(2,6-diphenylphenyl)-12,22-diphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene
• SMILES: CC(C)(C)c1ccc(-c2cc3c4c(c2)N(c2c(-c5ccccc5)cccc2-c2ccccc2)c2cc5c(cc2B4c2ccc(-n4c6ccccc6c6ccccc64)cc2N3c2ccccc2)B2c3ccccc3N(c3cccc4c3oc3ccccc34)c3cc(-c4ccc(C(C)(C)C)cc4)cc(c32)N5c2ccccc2)cc1
• InChI: InChI=1S/C104H77B2N5O/c1-103(2,3)72-53-49-66(50-54-72)70-59-94-99-96(61-70)110(90-47-28-42-82-81-39-21-26-48-98(81)112-102(82)90)89-46-25-22-43-83(89)105(99)85-64-86-93(65-92(85)108(94)75-35-17-10-18-36-75)111(101-77(68-29-11-7-12-30-68)40-27-41-78(101)69-31-13-8-14-32-69)97-62-71(67-51-55-73(56-52-67)104(4,5)6)60-95-100(97)106(86)84-58-57-76(63-91(84)107(95)74-33-15-9-16-34-74)109-87-44-23-19-37-79(87)80-38-20-24-45-88(80)109/h7-65H,1-6H3
• InChIKey: BYRGITFRYNKOFE-UHFFFAOYSA-N
• XLogP: 24.11
• TPSA: 31.03 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1434.42
LogP ≤ 5	24.11
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 15,25-bis(4-tert-butylphenyl)-9-carbazol-9-yl-28-dibenzofuran-4-yl-18-(2,6-diphenylphenyl)-12,22-diphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene?

The IUPAC name of 15,25-bis(4-tert-butylphenyl)-9-carbazol-9-yl-28-dibenzofuran-4-yl-18-(2,6-diphenylphenyl)-12,22-diphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene (CID 176617221) is 15,25-bis(4-tert-butylphenyl)-9-carbazol-9-yl-28-dibenzofuran-4-yl-18-(2,6-diphenylphenyl)-12,22-diphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene.

What is the SMILES notation for 15,25-bis(4-tert-butylphenyl)-9-carbazol-9-yl-28-dibenzofuran-4-yl-18-(2,6-diphenylphenyl)-12,22-diphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene?

The canonical SMILES for 15,25-bis(4-tert-butylphenyl)-9-carbazol-9-yl-28-dibenzofuran-4-yl-18-(2,6-diphenylphenyl)-12,22-diphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene is CC(C)(C)c1ccc(-c2cc3c4c(c2)N(c2c(-c5ccccc5)cccc2-c2ccccc2)c2cc5c(cc2B4c2ccc(-n4c6ccccc6c6ccccc64)cc2N3c2ccccc2)B2c3ccccc3N(c3cccc4c3oc3ccccc34)c3cc(-c4ccc(C(C)(C)C)cc4)cc(c32)N5c2ccccc2)cc1.

What is the InChIKey of 15,25-bis(4-tert-butylphenyl)-9-carbazol-9-yl-28-dibenzofuran-4-yl-18-(2,6-diphenylphenyl)-12,22-diphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene?

The InChIKey is BYRGITFRYNKOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H77B2N5O/c1-103(2,3)72-53-49-66(50-54-72)70-59-94-99-96(61-70)110(90-47-28-42-82-81-39-21-26-48-98(81)112-102(82)90)89-46-25-22-43-83(89)105(99)85-64-86-93(65-92(85)108(94)75-35-17-10-18-36-75)111(101-77(68-29-11-7-12-30-68)40-27-41-78(101)69-31-13-8-14-32-69)97-62-71(67-51-55-73(56-52-67)104(4,5)6)60-95-100(97)106(86)84-58-57-76(63-91(84)107(95)74-33-15-9-16-34-74)109-87-44-23-19-37-79(87)80-38-20-24-45-88(80)109/h7-65H,1-6H3.

What are the key properties of 15,25-bis(4-tert-butylphenyl)-9-carbazol-9-yl-28-dibenzofuran-4-yl-18-(2,6-diphenylphenyl)-12,22-diphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene?

15,25-bis(4-tert-butylphenyl)-9-carbazol-9-yl-28-dibenzofuran-4-yl-18-(2,6-diphenylphenyl)-12,22-diphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene has a molecular weight of 1434.42 g/mol, XLogP of 24.11, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 15,25-bis(4-tert-butylphenyl)-9-carbazol-9-yl-28-dibenzofuran-4-yl-18-(2,6-diphenylphenyl)-12,22-diphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene is sourced from PubChem (CID 176617221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).