8,14-bis(9,9-dimethylfluoren-2-yl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine

C72H54BN3Si — CID 159006171

About 8,14-bis(9,9-dimethylfluoren-2-yl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine

8,14-bis(9,9-dimethylfluoren-2-yl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine (PubChem CID 159006171) has the molecular formula C72H54BN3Si and a molecular weight of 1000.14 g/mol. Its IUPAC name is 8,14-bis(9,9-dimethylfluoren-2-yl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine.

Molecular Properties

• Compound Name: 8,14-bis(9,9-dimethylfluoren-2-yl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
• PubChem CID: 159006171
• Molecular Formula: C72H54BN3Si
• Molecular Weight: 1000.14 g/mol
• Exact Mass: 999.42
• IUPAC Name: 8,14-bis(9,9-dimethylfluoren-2-yl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N3c4cc(N(c5ccccc5)c5ccccc5)cc5c4B4c6c3cccc6[Si](c3ccccc3)(c3ccccc3)c3cccc(c34)N5c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
• InChI: InChI=1S/C72H54BN3Si/c1-71(2)58-33-19-17-31-54(58)56-41-39-49(43-60(56)71)75-62-35-21-37-66-69(62)73-68-64(75)45-51(74(47-23-9-5-10-24-47)48-25-11-6-12-26-48)46-65(68)76(50-40-42-57-55-32-18-20-34-59(55)72(3,4)61(57)44-50)63-36-22-38-67(70(63)73)77(66,52-27-13-7-14-28-52)53-29-15-8-16-30-53/h5-46H,1-4H3
• InChIKey: YZOKUXAQWXSIPE-UHFFFAOYSA-N
• XLogP: 13.54
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1000.14
LogP ≤ 5	13.54
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 8,14-bis(9,9-dimethylfluoren-2-yl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The IUPAC name of 8,14-bis(9,9-dimethylfluoren-2-yl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine (CID 159006171) is 8,14-bis(9,9-dimethylfluoren-2-yl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine.

What is the SMILES notation for 8,14-bis(9,9-dimethylfluoren-2-yl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The canonical SMILES for 8,14-bis(9,9-dimethylfluoren-2-yl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine is CC1(C)c2ccccc2-c2ccc(N3c4cc(N(c5ccccc5)c5ccccc5)cc5c4B4c6c3cccc6[Si](c3ccccc3)(c3ccccc3)c3cccc(c34)N5c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.

What is the InChIKey of 8,14-bis(9,9-dimethylfluoren-2-yl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The InChIKey is YZOKUXAQWXSIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54BN3Si/c1-71(2)58-33-19-17-31-54(58)56-41-39-49(43-60(56)71)75-62-35-21-37-66-69(62)73-68-64(75)45-51(74(47-23-9-5-10-24-47)48-25-11-6-12-26-48)46-65(68)76(50-40-42-57-55-32-18-20-34-59(55)72(3,4)61(57)44-50)63-36-22-38-67(70(63)73)77(66,52-27-13-7-14-28-52)53-29-15-8-16-30-53/h5-46H,1-4H3.

What are the key properties of 8,14-bis(9,9-dimethylfluoren-2-yl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

8,14-bis(9,9-dimethylfluoren-2-yl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine has a molecular weight of 1000.14 g/mol, XLogP of 13.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8,14-bis(9,9-dimethylfluoren-2-yl)-N,N,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine is sourced from PubChem (CID 159006171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).