18-carbazol-9-yl-25-phenyl-15,21-bis(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22(27),23,25-dodecaene-4,9'-fluorene]

C105H62BN3 — CID 176617612

About 18-carbazol-9-yl-25-phenyl-15,21-bis(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22(27),23,25-dodecaene-4,9'-fluorene]

18-carbazol-9-yl-25-phenyl-15,21-bis(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22(27),23,25-dodecaene-4,9'-fluorene] (PubChem CID 176617612) has the molecular formula C105H62BN3 and a molecular weight of 1376.48 g/mol. Its IUPAC name is 18-carbazol-9-yl-25-phenyl-15,21-bis(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22(27),23,25-dodecaene-4,9'-fluorene].

Molecular Properties

• Compound Name: 18-carbazol-9-yl-25-phenyl-15,21-bis(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22(27),23,25-dodecaene-4,9'-fluorene]
• PubChem CID: 176617612
• Molecular Formula: C105H62BN3
• Molecular Weight: 1376.48 g/mol
• Exact Mass: 1375.50
• IUPAC Name: 18-carbazol-9-yl-25-phenyl-15,21-bis(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22(27),23,25-dodecaene-4,9'-fluorene]
• SMILES: c1ccc(-c2ccc3c(c2)B2c4c(cc(-n5c6ccccc6c6ccccc65)cc4N(c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccc5c(c42)C2(c4ccccc4-c4ccccc42)c2ccccc2-5)N3c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
• InChI: InChI=1S/C105H62BN3/c1-2-28-63(29-3-1)64-56-58-92-89(60-64)106-101-96(108(92)93-54-26-41-77-72-36-10-21-49-86(72)103(98(77)93)80-43-15-4-30-66(80)67-31-5-16-44-81(67)103)61-65(107-90-52-24-13-39-75(90)76-40-14-25-53-91(76)107)62-97(101)109(94-55-27-42-78-73-37-11-22-50-87(73)104(99(78)94)82-45-17-6-32-68(82)69-33-7-18-46-83(69)104)95-59-57-79-74-38-12-23-51-88(74)105(100(79)102(95)106)84-47-19-8-34-70(84)71-35-9-20-48-85(71)105/h1-62H
• InChIKey: UQAQMEBXOZWESH-UHFFFAOYSA-N
• XLogP: 23.56
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1376.48
LogP ≤ 5	23.56
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-15,21-bis(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22(27),23,25-dodecaene-4,9'-fluorene]?

The IUPAC name of 18-carbazol-9-yl-25-phenyl-15,21-bis(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22(27),23,25-dodecaene-4,9'-fluorene] (CID 176617612) is 18-carbazol-9-yl-25-phenyl-15,21-bis(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22(27),23,25-dodecaene-4,9'-fluorene].

What is the SMILES notation for 18-carbazol-9-yl-25-phenyl-15,21-bis(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22(27),23,25-dodecaene-4,9'-fluorene]?

The canonical SMILES for 18-carbazol-9-yl-25-phenyl-15,21-bis(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22(27),23,25-dodecaene-4,9'-fluorene] is c1ccc(-c2ccc3c(c2)B2c4c(cc(-n5c6ccccc6c6ccccc65)cc4N(c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccc5c(c42)C2(c4ccccc4-c4ccccc42)c2ccccc2-5)N3c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.

What is the InChIKey of 18-carbazol-9-yl-25-phenyl-15,21-bis(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22(27),23,25-dodecaene-4,9'-fluorene]?

The InChIKey is UQAQMEBXOZWESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H62BN3/c1-2-28-63(29-3-1)64-56-58-92-89(60-64)106-101-96(108(92)93-54-26-41-77-72-36-10-21-49-86(72)103(98(77)93)80-43-15-4-30-66(80)67-31-5-16-44-81(67)103)61-65(107-90-52-24-13-39-75(90)76-40-14-25-53-91(76)107)62-97(101)109(94-55-27-42-78-73-37-11-22-50-87(73)104(99(78)94)82-45-17-6-32-68(82)69-33-7-18-46-83(69)104)95-59-57-79-74-38-12-23-51-88(74)105(100(79)102(95)106)84-47-19-8-34-70(84)71-35-9-20-48-85(71)105/h1-62H.

What are the key properties of 18-carbazol-9-yl-25-phenyl-15,21-bis(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22(27),23,25-dodecaene-4,9'-fluorene]?

18-carbazol-9-yl-25-phenyl-15,21-bis(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22(27),23,25-dodecaene-4,9'-fluorene] has a molecular weight of 1376.48 g/mol, XLogP of 23.56, 4 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-15,21-bis(9,9'-spirobi[fluorene]-1-yl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22(27),23,25-dodecaene-4,9'-fluorene] is sourced from PubChem (CID 176617612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).