8-[3,5-bis(triphenylsilyl)phenyl]-14-(2,6-diphenylphenyl)-N,N-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine

About 8-[3,5-bis(triphenylsilyl)phenyl]-14-(2,6-diphenylphenyl)-N,N-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine

8-[3,5-bis(triphenylsilyl)phenyl]-14-(2,6-diphenylphenyl)-N,N-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine (PubChem CID 168783990) has the molecular formula C90H66BN3Si2 and a molecular weight of 1256.52 g/mol. Its IUPAC name is 8-[3,5-bis(triphenylsilyl)phenyl]-14-(2,6-diphenylphenyl)-N,N-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine.

Molecular Properties

Compound Name	8-[3,5-bis(triphenylsilyl)phenyl]-14-(2,6-diphenylphenyl)-N,N-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine
PubChem CID	168783990
Molecular Formula	C90H66BN3Si2
Molecular Weight	1256.52 g/mol
Exact Mass	1255.49
IUPAC Name	8-[3,5-bis(triphenylsilyl)phenyl]-14-(2,6-diphenylphenyl)-N,N-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine
SMILES	c1ccc(-c2cccc(-c3ccccc3)c2N2c3ccccc3B3c4ccccc4N(c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)c4cc(N(c5ccccc5)c5ccccc5)cc2c43)cc1
InChI	InChI=1S/C90H66BN3Si2/c1-11-36-67(37-12-1)81-56-35-57-82(68-38-13-2-14-39-68)90(81)94-86-61-34-32-59-84(86)91-83-58-31-33-60-85(83)93(87-64-72(65-88(94)89(87)91)92(69-40-15-3-16-41-69)70-42-17-4-18-43-70)71-62-79(95(73-44-19-5-20-45-73,74-46-21-6-22-47-74)75-48-23-7-24-49-75)66-80(63-71)96(76-50-25-8-26-51-76,77-52-27-9-28-53-77)78-54-29-10-30-55-78/h1-66H
InChIKey	VPFNXZVUIYQJKK-UHFFFAOYSA-N
XLogP	15.33
TPSA	9.72 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	15
Heavy Atoms	96
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1256.52
LogP ≤ 5	15.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 8-[3,5-bis(triphenylsilyl)phenyl]-14-(2,6-diphenylphenyl)-N,N-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine?

The IUPAC name of 8-[3,5-bis(triphenylsilyl)phenyl]-14-(2,6-diphenylphenyl)-N,N-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine (CID 168783990) is 8-[3,5-bis(triphenylsilyl)phenyl]-14-(2,6-diphenylphenyl)-N,N-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine.

What is the SMILES notation for 8-[3,5-bis(triphenylsilyl)phenyl]-14-(2,6-diphenylphenyl)-N,N-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine?

The canonical SMILES for 8-[3,5-bis(triphenylsilyl)phenyl]-14-(2,6-diphenylphenyl)-N,N-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine is c1ccc(-c2cccc(-c3ccccc3)c2N2c3ccccc3B3c4ccccc4N(c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)c4cc(N(c5ccccc5)c5ccccc5)cc2c43)cc1.

What is the InChIKey of 8-[3,5-bis(triphenylsilyl)phenyl]-14-(2,6-diphenylphenyl)-N,N-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine?

The InChIKey is VPFNXZVUIYQJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H66BN3Si2/c1-11-36-67(37-12-1)81-56-35-57-82(68-38-13-2-14-39-68)90(81)94-86-61-34-32-59-84(86)91-83-58-31-33-60-85(83)93(87-64-72(65-88(94)89(87)91)92(69-40-15-3-16-41-69)70-42-17-4-18-43-70)71-62-79(95(73-44-19-5-20-45-73,74-46-21-6-22-47-74)75-48-23-7-24-49-75)66-80(63-71)96(76-50-25-8-26-51-76,77-52-27-9-28-53-77)78-54-29-10-30-55-78/h1-66H.

What are the key properties of 8-[3,5-bis(triphenylsilyl)phenyl]-14-(2,6-diphenylphenyl)-N,N-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine?

8-[3,5-bis(triphenylsilyl)phenyl]-14-(2,6-diphenylphenyl)-N,N-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine has a molecular weight of 1256.52 g/mol, XLogP of 15.33, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3,5-bis(triphenylsilyl)phenyl]-14-(2,6-diphenylphenyl)-N,N-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-11-amine is sourced from PubChem (CID 168783990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).