8-dibenzofuran-2-yl-N,N-diphenyl-14-(9,9'-spirobi[fluorene]-4-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine

C67H42BN3O — CID 175623923

About 8-dibenzofuran-2-yl-N,N-diphenyl-14-(9,9'-spirobi[fluorene]-4-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine

8-dibenzofuran-2-yl-N,N-diphenyl-14-(9,9'-spirobi[fluorene]-4-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine (PubChem CID 175623923) has the molecular formula C67H42BN3O and a molecular weight of 915.91 g/mol. Its IUPAC name is 8-dibenzofuran-2-yl-N,N-diphenyl-14-(9,9'-spirobi[fluorene]-4-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine.

Molecular Properties

• Compound Name: 8-dibenzofuran-2-yl-N,N-diphenyl-14-(9,9'-spirobi[fluorene]-4-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine
• PubChem CID: 175623923
• Molecular Formula: C67H42BN3O
• Molecular Weight: 915.91 g/mol
• Exact Mass: 915.34
• IUPAC Name: 8-dibenzofuran-2-yl-N,N-diphenyl-14-(9,9'-spirobi[fluorene]-4-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine
• SMILES: c1ccc(N(c2ccccc2)c2ccc3c(c2)N(c2ccc4oc5ccccc5c4c2)c2cccc4c2B3c2ccccc2N4c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C67H42BN3O/c1-3-19-43(20-4-1)69(44-21-5-2-6-22-44)46-37-39-57-62(42-46)70(45-38-40-64-51(41-45)49-25-10-16-36-63(49)72-64)60-34-18-35-61-66(60)68(57)56-31-14-15-32-58(56)71(61)59-33-17-30-55-65(59)50-26-9-13-29-54(50)67(55)52-27-11-7-23-47(52)48-24-8-12-28-53(48)67/h1-42H
• InChIKey: ZKTHMNDYUQFXSA-UHFFFAOYSA-N
• XLogP: 15.48
• TPSA: 22.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	915.91
LogP ≤ 5	15.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-dibenzofuran-2-yl-N,N-diphenyl-14-(9,9'-spirobi[fluorene]-4-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine?

The IUPAC name of 8-dibenzofuran-2-yl-N,N-diphenyl-14-(9,9'-spirobi[fluorene]-4-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine (CID 175623923) is 8-dibenzofuran-2-yl-N,N-diphenyl-14-(9,9'-spirobi[fluorene]-4-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine.

What is the SMILES notation for 8-dibenzofuran-2-yl-N,N-diphenyl-14-(9,9'-spirobi[fluorene]-4-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine?

The canonical SMILES for 8-dibenzofuran-2-yl-N,N-diphenyl-14-(9,9'-spirobi[fluorene]-4-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)N(c2ccc4oc5ccccc5c4c2)c2cccc4c2B3c2ccccc2N4c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 8-dibenzofuran-2-yl-N,N-diphenyl-14-(9,9'-spirobi[fluorene]-4-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine?

The InChIKey is ZKTHMNDYUQFXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42BN3O/c1-3-19-43(20-4-1)69(44-21-5-2-6-22-44)46-37-39-57-62(42-46)70(45-38-40-64-51(41-45)49-25-10-16-36-63(49)72-64)60-34-18-35-61-66(60)68(57)56-31-14-15-32-58(56)71(61)59-33-17-30-55-65(59)50-26-9-13-29-54(50)67(55)52-27-11-7-23-47(52)48-24-8-12-28-53(48)67/h1-42H.

What are the key properties of 8-dibenzofuran-2-yl-N,N-diphenyl-14-(9,9'-spirobi[fluorene]-4-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine?

8-dibenzofuran-2-yl-N,N-diphenyl-14-(9,9'-spirobi[fluorene]-4-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine has a molecular weight of 915.91 g/mol, XLogP of 15.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-dibenzofuran-2-yl-N,N-diphenyl-14-(9,9'-spirobi[fluorene]-4-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine is sourced from PubChem (CID 175623923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).