5,5-dinaphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[b][1]benzosilol-1-amine

C56H39NSi — CID 153426671

IUPAC5,5-dinaphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[b][1]benzosilol-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3[Si]4(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C56H39NSi/c1-3-14-40(15-4-1)44-26-32-48(33-27-44)57(49-34-28-45(29-35-49)41-16-5-2-6-17-41)53-23-13-25-55-56(53)52-22-11-12-24-54(52)58(55,50-36-30-42-18-7-9-20-46(42)38-50)51-37-31-43-19-8-10-21-47(43)39-51/h1-39H
InChIKeyCHNPLZGZCDFCCA-UHFFFAOYSA-N
MW754.02 g/mol
LogP12.15
Rot. Bonds7

About 5,5-dinaphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[b][1]benzosilol-1-amine

5,5-dinaphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[b][1]benzosilol-1-amine (PubChem CID 153426671) has the molecular formula C56H39NSi and a molecular weight of 754.02 g/mol. Its IUPAC name is 5,5-dinaphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[b][1]benzosilol-1-amine.

Molecular Properties

Compound Name5,5-dinaphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[b][1]benzosilol-1-amine
PubChem CID153426671
Molecular FormulaC56H39NSi
Molecular Weight754.02 g/mol
Exact Mass753.29
IUPAC Name5,5-dinaphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[b][1]benzosilol-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3[Si]4(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C56H39NSi/c1-3-14-40(15-4-1)44-26-32-48(33-27-44)57(49-34-28-45(29-35-49)41-16-5-2-6-17-41)53-23-13-25-55-56(53)52-22-11-12-24-54(52)58(55,50-36-30-42-18-7-9-20-46(42)38-50)51-37-31-43-19-8-10-21-47(43)39-51/h1-39H
InChIKeyCHNPLZGZCDFCCA-UHFFFAOYSA-N
XLogP12.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.02
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-diphenylphenyl)-5,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-1-amine
CID 142346953
N-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 153282049
N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine
CID 162504651
N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 168789431
N-(4-naphthalen-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168789545
N-[4-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172502016
3-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 156546768
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501217
2-[2-(2,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 172500767
N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 172502769
5,5-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-4-amine
CID 153426606
3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N,N-bis(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-2-amine
CID 164956486

Frequently Asked Questions

What is the IUPAC name of 5,5-dinaphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[b][1]benzosilol-1-amine?
The IUPAC name of 5,5-dinaphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[b][1]benzosilol-1-amine (CID 153426671) is 5,5-dinaphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[b][1]benzosilol-1-amine.
What is the SMILES notation for 5,5-dinaphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[b][1]benzosilol-1-amine?
The canonical SMILES for 5,5-dinaphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[b][1]benzosilol-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3[Si]4(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 5,5-dinaphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[b][1]benzosilol-1-amine?
The InChIKey is CHNPLZGZCDFCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39NSi/c1-3-14-40(15-4-1)44-26-32-48(33-27-44)57(49-34-28-45(29-35-49)41-16-5-2-6-17-41)53-23-13-25-55-56(53)52-22-11-12-24-54(52)58(55,50-36-30-42-18-7-9-20-46(42)38-50)51-37-31-43-19-8-10-21-47(43)39-51/h1-39H.
What are the key properties of 5,5-dinaphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[b][1]benzosilol-1-amine?
5,5-dinaphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[b][1]benzosilol-1-amine has a molecular weight of 754.02 g/mol, XLogP of 12.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dinaphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[b][1]benzosilol-1-amine is sourced from PubChem (CID 153426671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).