9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine

C59H36N2S2 — CID 164794351

IUPAC9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cccc4cccc-3c24)c2ccc3c(c2)c2ccccc2n3-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C59H36N2S2/c1-2-17-38(18-3-1)60(39-32-34-51-45(35-39)42-19-4-8-25-50(42)61(51)52-26-14-30-56-58(52)44-20-5-9-27-53(44)62-56)40-31-33-41-43-21-12-15-37-16-13-24-48(57(37)43)59(49(41)36-40)46-22-6-10-28-54(46)63-55-29-11-7-23-47(55)59/h1-36H
InChIKeyGBOMWZSLEWXRKQ-UHFFFAOYSA-N
MW837.09 g/mol
LogP16.60
Rot. Bonds4

About 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine

9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine (PubChem CID 164794351) has the molecular formula C59H36N2S2 and a molecular weight of 837.09 g/mol. Its IUPAC name is 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine.

Molecular Properties

Compound Name9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
PubChem CID164794351
Molecular FormulaC59H36N2S2
Molecular Weight837.09 g/mol
Exact Mass836.23
IUPAC Name9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cccc4cccc-3c24)c2ccc3c(c2)c2ccccc2n3-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C59H36N2S2/c1-2-17-38(18-3-1)60(39-32-34-51-45(35-39)42-19-4-8-25-50(42)61(51)52-26-14-30-56-58(52)44-20-5-9-27-53(44)62-56)40-31-33-41-43-21-12-15-37-16-13-24-48(57(37)43)59(49(41)36-40)46-22-6-10-28-54(46)63-55-29-11-7-23-47(55)59/h1-36H
InChIKeyGBOMWZSLEWXRKQ-UHFFFAOYSA-N
XLogP16.60
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.09
LogP ≤ 516.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
CID 164794672
9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794224
9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 165056524
9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;bis(N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine)
CID 164965781
N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
CID 165048712
N-dibenzothiophen-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164953994
9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine
CID 164794005
9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine
CID 164794544
N-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118086604
N-dibenzothiophen-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794564
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
CID 165052697
N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine
CID 164794241

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine?
The IUPAC name of 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine (CID 164794351) is 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine.
What is the SMILES notation for 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine?
The canonical SMILES for 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cccc4cccc-3c24)c2ccc3c(c2)c2ccccc2n3-c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine?
The InChIKey is GBOMWZSLEWXRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2S2/c1-2-17-38(18-3-1)60(39-32-34-51-45(35-39)42-19-4-8-25-50(42)61(51)52-26-14-30-56-58(52)44-20-5-9-27-53(44)62-56)40-31-33-41-43-21-12-15-37-16-13-24-48(57(37)43)59(49(41)36-40)46-22-6-10-28-54(46)63-55-29-11-7-23-47(55)59/h1-36H.
What are the key properties of 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine?
9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine has a molecular weight of 837.09 g/mol, XLogP of 16.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine is sourced from PubChem (CID 164794351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).