5',5'-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-4-amine

C60H43NOSi2 — CID 148942158

IUPAC5',5'-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3Oc3ccccc3[Si]43c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C60H43NOSi2/c1-5-20-44(21-6-1)46-36-40-48(41-37-46)61(49-42-38-47(39-43-49)45-22-7-2-8-23-45)52-28-19-35-59-60(52)62-53-29-13-14-30-54(53)64(59)57-33-17-15-31-55(57)63(50-24-9-3-10-25-50,51-26-11-4-12-27-51)56-32-16-18-34-58(56)64/h1-43H
InChIKeyPOCUBXFMTCSJRM-UHFFFAOYSA-N
MW850.18 g/mol
LogP9.66
Rot. Bonds7

About 5',5'-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-4-amine

5',5'-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-4-amine (PubChem CID 148942158) has the molecular formula C60H43NOSi2 and a molecular weight of 850.18 g/mol. Its IUPAC name is 5',5'-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-4-amine.

Molecular Properties

Compound Name5',5'-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-4-amine
PubChem CID148942158
Molecular FormulaC60H43NOSi2
Molecular Weight850.18 g/mol
Exact Mass849.29
IUPAC Name5',5'-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3Oc3ccccc3[Si]43c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C60H43NOSi2/c1-5-20-44(21-6-1)46-36-40-48(41-37-46)61(49-42-38-47(39-43-49)45-22-7-2-8-23-45)52-28-19-35-59-60(52)62-53-29-13-14-30-54(53)64(59)57-33-17-15-31-55(57)63(50-24-9-3-10-25-50,51-26-11-4-12-27-51)56-32-16-18-34-58(56)64/h1-43H
InChIKeyPOCUBXFMTCSJRM-UHFFFAOYSA-N
XLogP9.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.18
LogP ≤ 59.66
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,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-4-amine
CID 146793729
N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 123565819
N-(4-naphthalen-1-ylphenyl)-5-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 140872051
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-[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
CID 140872024
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
5,5-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-4-amine
CID 153426606
N-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 153282049
5,5,8,8-tetraphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1,4]benzoxasilin-10-amine
CID 123275102
N-(4-naphthalen-1-ylphenyl)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline
CID 140872030
N-naphthalen-1-yl-5',5'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-amine
CID 147268027

Frequently Asked Questions

What is the IUPAC name of 5',5'-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-4-amine?
The IUPAC name of 5',5'-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-4-amine (CID 148942158) is 5',5'-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-4-amine.
What is the SMILES notation for 5',5'-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-4-amine?
The canonical SMILES for 5',5'-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3Oc3ccccc3[Si]43c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc2)cc1.
What is the InChIKey of 5',5'-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-4-amine?
The InChIKey is POCUBXFMTCSJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43NOSi2/c1-5-20-44(21-6-1)46-36-40-48(41-37-46)61(49-42-38-47(39-43-49)45-22-7-2-8-23-45)52-28-19-35-59-60(52)62-53-29-13-14-30-54(53)64(59)57-33-17-15-31-55(57)63(50-24-9-3-10-25-50,51-26-11-4-12-27-51)56-32-16-18-34-58(56)64/h1-43H.
What are the key properties of 5',5'-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-4-amine?
5',5'-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-4-amine has a molecular weight of 850.18 g/mol, XLogP of 9.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5',5'-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-4-amine is sourced from PubChem (CID 148942158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).