18-carbazol-9-yl-25-phenyl-21-(4-phenylphenyl)-15-(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene-6,9'-fluorene]

C92H56BN3 — CID 176617608

About 18-carbazol-9-yl-25-phenyl-21-(4-phenylphenyl)-15-(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene-6,9'-fluorene]

18-carbazol-9-yl-25-phenyl-21-(4-phenylphenyl)-15-(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene-6,9'-fluorene] (PubChem CID 176617608) has the molecular formula C92H56BN3 and a molecular weight of 1214.29 g/mol. Its IUPAC name is 18-carbazol-9-yl-25-phenyl-21-(4-phenylphenyl)-15-(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene-6,9'-fluorene].

Molecular Properties

• Compound Name: 18-carbazol-9-yl-25-phenyl-21-(4-phenylphenyl)-15-(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene-6,9'-fluorene]
• PubChem CID: 176617608
• Molecular Formula: C92H56BN3
• Molecular Weight: 1214.29 g/mol
• Exact Mass: 1213.46
• IUPAC Name: 18-carbazol-9-yl-25-phenyl-21-(4-phenylphenyl)-15-(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene-6,9'-fluorene]
• SMILES: c1ccc(-c2ccc(N3c4ccc(-c5ccccc5)cc4B4c5ccc6c(c5N(c5cccc7c5C5(c8ccccc8-c8ccccc85)c5ccccc5-7)c5cc(-n7c8ccccc8c8ccccc87)cc3c54)-c3ccccc3C63c4ccccc4-c4ccccc43)cc2)cc1
• InChI: InChI=1S/C92H56BN3/c1-3-24-57(25-4-1)59-46-49-61(50-47-59)94-83-53-48-60(58-26-5-2-6-27-58)54-80(83)93-79-52-51-78-87(71-35-12-20-42-77(71)91(78)72-37-15-7-28-63(72)64-29-8-16-38-73(64)91)90(79)96(86-56-62(55-85(94)89(86)93)95-81-43-21-13-33-68(81)69-34-14-22-44-82(69)95)84-45-23-36-70-67-32-11-19-41-76(67)92(88(70)84)74-39-17-9-30-65(74)66-31-10-18-40-75(66)92/h1-56H
• InChIKey: PIWKGAALMXALPD-UHFFFAOYSA-N
• XLogP: 20.89
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1214.29
LogP ≤ 5	20.89
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 18-carbazol-9-yl-25-phenyl-21-(4-phenylphenyl)-15-(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene-6,9'-fluorene]?

The IUPAC name of 18-carbazol-9-yl-25-phenyl-21-(4-phenylphenyl)-15-(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene-6,9'-fluorene] (CID 176617608) is 18-carbazol-9-yl-25-phenyl-21-(4-phenylphenyl)-15-(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene-6,9'-fluorene].

What is the SMILES notation for 18-carbazol-9-yl-25-phenyl-21-(4-phenylphenyl)-15-(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene-6,9'-fluorene]?

The canonical SMILES for 18-carbazol-9-yl-25-phenyl-21-(4-phenylphenyl)-15-(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene-6,9'-fluorene] is c1ccc(-c2ccc(N3c4ccc(-c5ccccc5)cc4B4c5ccc6c(c5N(c5cccc7c5C5(c8ccccc8-c8ccccc85)c5ccccc5-7)c5cc(-n7c8ccccc8c8ccccc87)cc3c54)-c3ccccc3C63c4ccccc4-c4ccccc43)cc2)cc1.

What is the InChIKey of 18-carbazol-9-yl-25-phenyl-21-(4-phenylphenyl)-15-(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene-6,9'-fluorene]?

The InChIKey is PIWKGAALMXALPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H56BN3/c1-3-24-57(25-4-1)59-46-49-61(50-47-59)94-83-53-48-60(58-26-5-2-6-27-58)54-80(83)93-79-52-51-78-87(71-35-12-20-42-77(71)91(78)72-37-15-7-28-63(72)64-29-8-16-38-73(64)91)90(79)96(86-56-62(55-85(94)89(86)93)95-81-43-21-13-33-68(81)69-34-14-22-44-82(69)95)84-45-23-36-70-67-32-11-19-41-76(67)92(88(70)84)74-39-17-9-30-65(74)66-31-10-18-40-75(66)92/h1-56H.

What are the key properties of 18-carbazol-9-yl-25-phenyl-21-(4-phenylphenyl)-15-(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene-6,9'-fluorene]?

18-carbazol-9-yl-25-phenyl-21-(4-phenylphenyl)-15-(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene-6,9'-fluorene] has a molecular weight of 1214.29 g/mol, XLogP of 20.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 18-carbazol-9-yl-25-phenyl-21-(4-phenylphenyl)-15-(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene-6,9'-fluorene] is sourced from PubChem (CID 176617608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).