8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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

C66H46BN3Si — CID 158998261

About 8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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 158998261) has the molecular formula C66H46BN3Si and a molecular weight of 930.07 g/mol. Its IUPAC name is 8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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: 158998261
• Molecular Formula: C66H46BN3Si
• Molecular Weight: 930.07 g/mol
• Exact Mass: 929.42
• IUPAC Name: 8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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: [2H]c1c([2H])c([2H])c(-c2ccccc2N2c3cc(N(c4ccccc4)c4ccccc4)cc4c3B3c5c2cccc5[Si](c2ccccc2)(c2ccccc2)c2cccc(c23)N4c2ccccc2-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C66H46BN3Si/c1-7-25-47(26-8-1)54-37-19-21-39-56(54)69-58-41-23-43-62-65(58)67-64-60(69)45-51(68(49-29-11-3-12-30-49)50-31-13-4-14-32-50)46-61(64)70(57-40-22-20-38-55(57)48-27-9-2-10-28-48)59-42-24-44-63(66(59)67)71(62,52-33-15-5-16-34-52)53-35-17-6-18-36-53/h1-46H/i1D,2D,7D,8D,9D,10D,25D,26D,27D,28D
• InChIKey: QMIVGGRNZPGNRM-HRRGMSCJSA-N
• XLogP: 12.26
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.07
LogP ≤ 5	12.26
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[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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 158998261) is 8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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 [2H]c1c([2H])c([2H])c(-c2ccccc2N2c3cc(N(c4ccccc4)c4ccccc4)cc4c3B3c5c2cccc5[Si](c2ccccc2)(c2ccccc2)c2cccc(c23)N4c2ccccc2-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of 8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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 QMIVGGRNZPGNRM-HRRGMSCJSA-N. The full InChI is InChI=1S/C66H46BN3Si/c1-7-25-47(26-8-1)54-37-19-21-39-56(54)69-58-41-23-43-62-65(58)67-64-60(69)45-51(68(49-29-11-3-12-30-49)50-31-13-4-14-32-50)46-61(64)70(57-40-22-20-38-55(57)48-27-9-2-10-28-48)59-42-24-44-63(66(59)67)71(62,52-33-15-5-16-34-52)53-35-17-6-18-36-53/h1-46H/i1D,2D,7D,8D,9D,10D,25D,26D,27D,28D.

What are the key properties of 8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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 930.07 g/mol, XLogP of 12.26, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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 158998261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).