N,N,14-triphenyl-5-(3-triphenylsilylphenyl)-8-[3-(3-triphenylsilylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-amine

About N,N,14-triphenyl-5-(3-triphenylsilylphenyl)-8-[3-(3-triphenylsilylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-amine

N,N,14-triphenyl-5-(3-triphenylsilylphenyl)-8-[3-(3-triphenylsilylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-amine (PubChem CID 168784141) has the molecular formula C90H66BN3Si2 and a molecular weight of 1256.52 g/mol. Its IUPAC name is N,N,14-triphenyl-5-(3-triphenylsilylphenyl)-8-[3-(3-triphenylsilylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-amine.

Molecular Properties

Compound Name	N,N,14-triphenyl-5-(3-triphenylsilylphenyl)-8-[3-(3-triphenylsilylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-amine
PubChem CID	168784141
Molecular Formula	C90H66BN3Si2
Molecular Weight	1256.52 g/mol
Exact Mass	1255.49
IUPAC Name	N,N,14-triphenyl-5-(3-triphenylsilylphenyl)-8-[3-(3-triphenylsilylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-amine
SMILES	c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2cccc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c2)c2cc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)ccc2B4c2ccccc2N3c2ccccc2)cc1
InChI	InChI=1S/C90H66BN3Si2/c1-10-36-71(37-11-1)92(72-38-12-2-13-39-72)75-65-88-90-89(66-75)94(74-42-30-33-67(61-74)68-34-31-55-82(62-68)95(76-43-16-4-17-44-76,77-45-18-5-19-46-77)78-47-20-6-21-48-78)87-64-70(59-60-85(87)91(90)84-57-28-29-58-86(84)93(88)73-40-14-3-15-41-73)69-35-32-56-83(63-69)96(79-49-22-7-23-50-79,80-51-24-8-25-52-80)81-53-26-9-27-54-81/h1-66H
InChIKey	OJJUAGJWONMZBN-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 N,N,14-triphenyl-5-(3-triphenylsilylphenyl)-8-[3-(3-triphenylsilylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-amine?

The IUPAC name of N,N,14-triphenyl-5-(3-triphenylsilylphenyl)-8-[3-(3-triphenylsilylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-amine (CID 168784141) is N,N,14-triphenyl-5-(3-triphenylsilylphenyl)-8-[3-(3-triphenylsilylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-amine.

What is the SMILES notation for N,N,14-triphenyl-5-(3-triphenylsilylphenyl)-8-[3-(3-triphenylsilylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-amine?

The canonical SMILES for N,N,14-triphenyl-5-(3-triphenylsilylphenyl)-8-[3-(3-triphenylsilylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-amine is c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2cccc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c2)c2cc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)ccc2B4c2ccccc2N3c2ccccc2)cc1.

What is the InChIKey of N,N,14-triphenyl-5-(3-triphenylsilylphenyl)-8-[3-(3-triphenylsilylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-amine?

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

What are the key properties of N,N,14-triphenyl-5-(3-triphenylsilylphenyl)-8-[3-(3-triphenylsilylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-amine?

N,N,14-triphenyl-5-(3-triphenylsilylphenyl)-8-[3-(3-triphenylsilylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),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 N,N,14-triphenyl-5-(3-triphenylsilylphenyl)-8-[3-(3-triphenylsilylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-amine is sourced from PubChem (CID 168784141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).