8,14-bis(2,4-diphenylphenyl)-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

C73H49BN2 — CID 169282243

About 8,14-bis(2,4-diphenylphenyl)-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

8,14-bis(2,4-diphenylphenyl)-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 169282243) has the molecular formula C73H49BN2 and a molecular weight of 965.02 g/mol. Its IUPAC name is 8,14-bis(2,4-diphenylphenyl)-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

• Compound Name: 8,14-bis(2,4-diphenylphenyl)-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• PubChem CID: 169282243
• Molecular Formula: C73H49BN2
• Molecular Weight: 965.02 g/mol
• Exact Mass: 964.40
• IUPAC Name: 8,14-bis(2,4-diphenylphenyl)-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• SMILES: c1ccc(-c2ccc(N3c4ccccc4B4c5ccccc5N(c5ccc(-c6ccccc6)cc5-c5ccccc5)c5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc3c54)c(-c3ccccc3)c2)cc1
• InChI: InChI=1S/C73H49BN2/c1-6-24-50(25-7-1)54-42-44-66(60(46-54)52-28-10-3-11-29-52)75-68-40-22-20-38-64(68)74-65-39-21-23-41-69(65)76(67-45-43-55(51-26-8-2-9-27-51)47-61(67)53-30-12-4-13-31-53)71-49-57(48-70(75)72(71)74)73(56-32-14-5-15-33-56)62-36-18-16-34-58(62)59-35-17-19-37-63(59)73/h1-49H
• InChIKey: XXZZBQMEBJWLBH-UHFFFAOYSA-N
• XLogP: 16.80
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	965.02
LogP ≤ 5	16.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8,14-bis(2,4-diphenylphenyl)-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The IUPAC name of 8,14-bis(2,4-diphenylphenyl)-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 169282243) is 8,14-bis(2,4-diphenylphenyl)-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

What is the SMILES notation for 8,14-bis(2,4-diphenylphenyl)-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The canonical SMILES for 8,14-bis(2,4-diphenylphenyl)-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is c1ccc(-c2ccc(N3c4ccccc4B4c5ccccc5N(c5ccc(-c6ccccc6)cc5-c5ccccc5)c5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc3c54)c(-c3ccccc3)c2)cc1.

What is the InChIKey of 8,14-bis(2,4-diphenylphenyl)-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The InChIKey is XXZZBQMEBJWLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H49BN2/c1-6-24-50(25-7-1)54-42-44-66(60(46-54)52-28-10-3-11-29-52)75-68-40-22-20-38-64(68)74-65-39-21-23-41-69(65)76(67-45-43-55(51-26-8-2-9-27-51)47-61(67)53-30-12-4-13-31-53)71-49-57(48-70(75)72(71)74)73(56-32-14-5-15-33-56)62-36-18-16-34-58(62)59-35-17-19-37-63(59)73/h1-49H.

What are the key properties of 8,14-bis(2,4-diphenylphenyl)-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

8,14-bis(2,4-diphenylphenyl)-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 965.02 g/mol, XLogP of 16.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8,14-bis(2,4-diphenylphenyl)-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 169282243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).