N-dibenzothiophen-2-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine

C55H37NS2Si — CID 148806653

IUPACN-dibenzothiophen-2-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2[Si]3(c2ccccc2)c2ccccc2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C55H37NS2Si/c1-4-18-38(19-5-1)56(39-32-34-50-44(36-39)43-24-10-14-28-49(43)57-50)40-33-35-54-48(37-40)55(45-25-11-15-29-51(45)58-52-30-16-12-26-46(52)55)47-27-13-17-31-53(47)59(54,41-20-6-2-7-21-41)42-22-8-3-9-23-42/h1-37H
InChIKeyOPCDBRWZCDDMOW-UHFFFAOYSA-N
MW804.13 g/mol
LogP12.06
Rot. Bonds5

About N-dibenzothiophen-2-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine

N-dibenzothiophen-2-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine (PubChem CID 148806653) has the molecular formula C55H37NS2Si and a molecular weight of 804.13 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine
PubChem CID148806653
Molecular FormulaC55H37NS2Si
Molecular Weight804.13 g/mol
Exact Mass803.21
IUPAC NameN-dibenzothiophen-2-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2[Si]3(c2ccccc2)c2ccccc2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C55H37NS2Si/c1-4-18-38(19-5-1)56(39-32-34-50-44(36-39)43-24-10-14-28-49(43)57-50)40-33-35-54-48(37-40)55(45-25-11-15-29-51(45)58-52-30-16-12-26-46(52)55)47-27-13-17-31-53(47)59(54,41-20-6-2-7-21-41)42-22-8-3-9-23-42/h1-37H
InChIKeyOPCDBRWZCDDMOW-UHFFFAOYSA-N
XLogP12.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.13
LogP ≤ 512.06
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-dibenzothiophen-2-yl-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine
CID 147492660
3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,3-diamine
CID 169305086
3-N-dibenzothiophen-2-yl-1-N-naphthalen-1-yl-1-N-phenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,3-diamine
CID 166960069
N-dibenzofuran-1-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine;N-dibenzofuran-3-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine;N-dibenzothiophen-2-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine;N-dibenzothiophen-4-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine
CID 158456992
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 118298519
7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenylthianthrene-2,7-diamine
CID 161333669
N-[3-[5,5-diphenyl-8-(N-phenylanilino)benzo[b][1]benzosilol-3-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 156664113
4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667358
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480
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
2-N-dibenzothiophen-2-yl-8-N,8-N,5,5-tetraphenyl-2-N-(4-pyridin-3-ylphenyl)benzo[b][1]benzosilole-2,8-diamine
CID 156664139

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine (CID 148806653) is N-dibenzothiophen-2-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2[Si]3(c2ccccc2)c2ccccc2)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine?
The InChIKey is OPCDBRWZCDDMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NS2Si/c1-4-18-38(19-5-1)56(39-32-34-50-44(36-39)43-24-10-14-28-49(43)57-50)40-33-35-54-48(37-40)55(45-25-11-15-29-51(45)58-52-30-16-12-26-46(52)55)47-27-13-17-31-53(47)59(54,41-20-6-2-7-21-41)42-22-8-3-9-23-42/h1-37H.
What are the key properties of N-dibenzothiophen-2-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine?
N-dibenzothiophen-2-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine has a molecular weight of 804.13 g/mol, XLogP of 12.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine is sourced from PubChem (CID 148806653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).