N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine

C54H37NO2Si — CID 140872024

IUPACN-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4Oc4ccccc4[Si]5(c4ccccc4)c4ccccc4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C54H37NO2Si/c1-4-15-38(16-5-1)39-27-31-41(32-28-39)55(43-35-36-48-47-21-10-11-23-49(47)56-51(48)37-43)42-33-29-40(30-34-42)46-22-14-26-53-54(46)57-50-24-12-13-25-52(50)58(53,44-17-6-2-7-18-44)45-19-8-3-9-20-45/h1-37H
InChIKeyKDMDOCSUMOFIAT-UHFFFAOYSA-N
MW759.98 g/mol
LogP11.87
Rot. Bonds7

About N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine

N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 140872024) has the molecular formula C54H37NO2Si and a molecular weight of 759.98 g/mol. Its IUPAC name is N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID140872024
Molecular FormulaC54H37NO2Si
Molecular Weight759.98 g/mol
Exact Mass759.26
IUPAC NameN-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4Oc4ccccc4[Si]5(c4ccccc4)c4ccccc4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C54H37NO2Si/c1-4-15-38(16-5-1)39-27-31-41(32-28-39)55(43-35-36-48-47-21-10-11-23-49(47)56-51(48)37-43)42-33-29-40(30-34-42)46-22-14-26-53-54(46)57-50-24-12-13-25-52(50)58(53,44-17-6-2-7-18-44)45-19-8-3-9-20-45/h1-37H
InChIKeyKDMDOCSUMOFIAT-UHFFFAOYSA-N
XLogP11.87
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.98
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 123565819
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
N-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 152801513
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-(4-naphthalen-1-ylphenyl)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline
CID 140872030
N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[3-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 158679681
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 140872024) is N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4Oc4ccccc4[Si]5(c4ccccc4)c4ccccc4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is KDMDOCSUMOFIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO2Si/c1-4-15-38(16-5-1)39-27-31-41(32-28-39)55(43-35-36-48-47-21-10-11-23-49(47)56-51(48)37-43)42-33-29-40(30-34-42)46-22-14-26-53-54(46)57-50-24-12-13-25-52(50)58(53,44-17-6-2-7-18-44)45-19-8-3-9-20-45/h1-37H.
What are the key properties of N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 759.98 g/mol, XLogP of 11.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 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-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 140872024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).