N-(4-naphthalen-1-ylphenyl)-5-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-1-amine

C56H39NOSi — CID 140872051

IUPACN-(4-naphthalen-1-ylphenyl)-5-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c([Si]5(c6ccccc6)c6ccccc6Oc6ccccc65)cccc34)cc2)cc1
InChIInChI=1S/C56H39NOSi/c1-3-16-40(17-4-1)41-32-36-44(37-33-41)57(45-38-34-43(35-39-45)48-23-13-19-42-18-7-8-22-47(42)48)51-26-14-25-50-49(51)24-15-31-54(50)59(46-20-5-2-6-21-46)55-29-11-9-27-52(55)58-53-28-10-12-30-56(53)59/h1-39H
InChIKeyBSDZCJLGAHPVKU-UHFFFAOYSA-N
MW770.02 g/mol
LogP12.28
Rot. Bonds7

About N-(4-naphthalen-1-ylphenyl)-5-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-1-amine

N-(4-naphthalen-1-ylphenyl)-5-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 140872051) has the molecular formula C56H39NOSi and a molecular weight of 770.02 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-5-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-5-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID140872051
Molecular FormulaC56H39NOSi
Molecular Weight770.02 g/mol
Exact Mass769.28
IUPAC NameN-(4-naphthalen-1-ylphenyl)-5-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c([Si]5(c6ccccc6)c6ccccc6Oc6ccccc65)cccc34)cc2)cc1
InChIInChI=1S/C56H39NOSi/c1-3-16-40(17-4-1)41-32-36-44(37-33-41)57(45-38-34-43(35-39-45)48-23-13-19-42-18-7-8-22-47(42)48)51-26-14-25-50-49(51)24-15-31-54(50)59(46-20-5-2-6-21-46)55-29-11-9-27-52(55)58-53-28-10-12-30-56(53)59/h1-39H
InChIKeyBSDZCJLGAHPVKU-UHFFFAOYSA-N
XLogP12.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.02
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline
CID 140872030
N-(4-naphthalen-1-ylphenyl)-5',5'-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine
CID 149268242
N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 123565819
N-[4-[5-[10-[6-(N,4-dinaphthalen-1-ylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-4-yl]naphthalen-1-yl]phenyl]-6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 159980440
N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3-amine
CID 147512340
N-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 153282049
N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]aniline
CID 158680254
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501407
N,N-bis(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502561
N-(4-naphthalen-1-ylphenyl)-N-[6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)naphthalen-2-yl]dibenzothiophen-3-amine
CID 140872026
N-(4-naphthalen-1-ylphenyl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 167277162

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-5-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-5-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-1-amine (CID 140872051) is N-(4-naphthalen-1-ylphenyl)-5-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-5-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-5-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c([Si]5(c6ccccc6)c6ccccc6Oc6ccccc65)cccc34)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-5-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is BSDZCJLGAHPVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39NOSi/c1-3-16-40(17-4-1)41-32-36-44(37-33-41)57(45-38-34-43(35-39-45)48-23-13-19-42-18-7-8-22-47(42)48)51-26-14-25-50-49(51)24-15-31-54(50)59(46-20-5-2-6-21-46)55-29-11-9-27-52(55)58-53-28-10-12-30-56(53)59/h1-39H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-5-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-1-amine?
N-(4-naphthalen-1-ylphenyl)-5-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 770.02 g/mol, XLogP of 12.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-5-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 140872051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).