N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine

C46H33NOSi — CID 123565819

IUPACN-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C46H33NOSi/c1-4-18-36(19-5-1)47(42-26-14-17-34-16-10-11-24-40(34)42)37-32-30-35(31-33-37)41-25-15-29-45-46(41)48-43-27-12-13-28-44(43)49(45,38-20-6-2-7-21-38)39-22-8-3-9-23-39/h1-33H
InChIKeyFKCFTLWSZMLLRC-UHFFFAOYSA-N
MW643.86 g/mol
LogP9.46
Rot. Bonds6

About N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine

N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 123565819) has the molecular formula C46H33NOSi and a molecular weight of 643.86 g/mol. Its IUPAC name is N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine
PubChem CID123565819
Molecular FormulaC46H33NOSi
Molecular Weight643.86 g/mol
Exact Mass643.23
IUPAC NameN-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C46H33NOSi/c1-4-18-36(19-5-1)47(42-26-14-17-34-16-10-11-24-40(34)42)37-32-30-35(31-33-37)41-25-15-29-45-46(41)48-43-27-12-13-28-44(43)49(45,38-20-6-2-7-21-38)39-22-8-3-9-23-39/h1-33H
InChIKeyFKCFTLWSZMLLRC-UHFFFAOYSA-N
XLogP9.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.86
LogP ≤ 59.46
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-[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-(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-naphthalen-1-ylphenyl)-5-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 140872051
N-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 153282049
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-naphthalen-1-ylphenyl)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline
CID 140872030
5',5'-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-4-amine
CID 148942158
N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 140872024
N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-4-amine
CID 146793729
N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118134188
N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118133946
N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3-amine
CID 147512340

Frequently Asked Questions

What is the IUPAC name of N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine (CID 123565819) is N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is FKCFTLWSZMLLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33NOSi/c1-4-18-36(19-5-1)47(42-26-14-17-34-16-10-11-24-40(34)42)37-32-30-35(31-33-37)41-25-15-29-45-46(41)48-43-27-12-13-28-44(43)49(45,38-20-6-2-7-21-38)39-22-8-3-9-23-39/h1-33H.
What are the key properties of N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine?
N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 643.86 g/mol, XLogP of 9.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 123565819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).