N-(10',10'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,5'-silanthrene]-1'-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine

C66H45NOSSi2 — CID 166012381

IUPACN-(10',10'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,5'-silanthrene]-1'-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3[Si](c3ccccc3)(c3ccccc3)c3ccccc3[Si]43c4ccccc4Sc4ccccc43)cc2)cc1
InChIInChI=1S/C66H45NOSSi2/c1-4-21-46(22-5-1)52-27-10-11-28-53(52)47-39-41-48(42-40-47)67(49-43-44-55-54-29-12-13-31-57(54)68-58(55)45-49)56-30-20-38-65-66(56)70(50-23-6-2-7-24-50,51-25-8-3-9-26-51)63-36-18-19-37-64(63)71(65)61-34-16-14-32-59(61)69-60-33-15-17-35-62(60)71/h1-45H
InChIKeyOWYAQUXKJFWLMJ-UHFFFAOYSA-N
MW956.33 g/mol
LogP11.92
Rot. Bonds7

About N-(10',10'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,5'-silanthrene]-1'-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine

N-(10',10'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,5'-silanthrene]-1'-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 166012381) has the molecular formula C66H45NOSSi2 and a molecular weight of 956.33 g/mol. Its IUPAC name is N-(10',10'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,5'-silanthrene]-1'-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(10',10'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,5'-silanthrene]-1'-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID166012381
Molecular FormulaC66H45NOSSi2
Molecular Weight956.33 g/mol
Exact Mass955.28
IUPAC NameN-(10',10'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,5'-silanthrene]-1'-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3[Si](c3ccccc3)(c3ccccc3)c3ccccc3[Si]43c4ccccc4Sc4ccccc43)cc2)cc1
InChIInChI=1S/C66H45NOSSi2/c1-4-21-46(22-5-1)52-27-10-11-28-53(52)47-39-41-48(42-40-47)67(49-43-44-55-54-29-12-13-31-57(54)68-58(55)45-49)56-30-20-38-65-66(56)70(50-23-6-2-7-24-50,51-25-8-3-9-26-51)63-36-18-19-37-64(63)71(65)61-34-16-14-32-59(61)69-60-33-15-17-35-62(60)71/h1-45H
InChIKeyOWYAQUXKJFWLMJ-UHFFFAOYSA-N
XLogP11.92
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.33
LogP ≤ 511.92
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-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-N-phenyldibenzofuran-3-amine
CID 149201955
N,N-bis(4-phenylphenyl)-10,10'-spirobi[benzo[b][1,4]benzoxasiline]-2-amine;N-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N,4-diphenyl-N-[4-(10,10'-spirobi[benzo[b][1,4]benzoxasiline]-2-yl)phenyl]aniline;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,10'-benzo[b][1,4]benzoxasiline]-3'-amine
CID 162240737
N-phenyl-N-(10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-yl)dibenzofuran-3-amine
CID 148736996
N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine
CID 170032953
N-(2,3-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254313
N-[2-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789729
N-(4-naphthalen-1-ylphenyl)-N-(4-spiro[benzo[b][1,4]benzothiasiline-10,10'-benzo[b][1,4]benzoxasiline]-3-ylphenyl)dibenzofuran-3-amine
CID 148686419
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-dibenzothiophen-2-yl-N,5',5'-triphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-amine;N-dibenzothiophen-4-yl-N,5',5'-triphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-amine;N-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-N-phenyldibenzofuran-1-amine;N-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-N-phenyldibenzofuran-3-amine
CID 158994897
N-(4-phenylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789991
N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 140872024
N-[4-(2-phenylphenyl)phenyl]-N-spiro[9H-anthracene-10,9'-thioxanthene]-1-yldibenzofuran-3-amine
CID 157346106

Frequently Asked Questions

What is the IUPAC name of N-(10',10'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,5'-silanthrene]-1'-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(10',10'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,5'-silanthrene]-1'-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine (CID 166012381) is N-(10',10'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,5'-silanthrene]-1'-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(10',10'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,5'-silanthrene]-1'-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(10',10'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,5'-silanthrene]-1'-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3[Si](c3ccccc3)(c3ccccc3)c3ccccc3[Si]43c4ccccc4Sc4ccccc43)cc2)cc1.
What is the InChIKey of N-(10',10'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,5'-silanthrene]-1'-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is OWYAQUXKJFWLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45NOSSi2/c1-4-21-46(22-5-1)52-27-10-11-28-53(52)47-39-41-48(42-40-47)67(49-43-44-55-54-29-12-13-31-57(54)68-58(55)45-49)56-30-20-38-65-66(56)70(50-23-6-2-7-24-50,51-25-8-3-9-26-51)63-36-18-19-37-64(63)71(65)61-34-16-14-32-59(61)69-60-33-15-17-35-62(60)71/h1-45H.
What are the key properties of N-(10',10'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,5'-silanthrene]-1'-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
N-(10',10'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,5'-silanthrene]-1'-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 956.33 g/mol, XLogP of 11.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10',10'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,5'-silanthrene]-1'-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 166012381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).