7-N,9-N,9-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-4-ylnaphtho[1,2-b][1]benzofuran-7,9-diamine

C59H38N2OS — CID 155483185

IUPAC7-N,9-N,9-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-4-ylnaphtho[1,2-b][1]benzofuran-7,9-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)c3c(c2)oc2c4ccccc4ccc23)cc1
InChIInChI=1S/C59H38N2OS/c1-4-20-40(21-5-1)60(41-22-6-2-7-23-41)43-37-52(57-46-36-35-39-19-10-11-26-44(39)58(46)62-53(57)38-43)61(42-24-8-3-9-25-42)51-32-18-31-50-56(51)45-27-12-13-28-47(45)59(50)48-29-14-16-33-54(48)63-55-34-17-15-30-49(55)59/h1-38H
InChIKeyRRHXPHLOCYUZAY-UHFFFAOYSA-N
MW823.03 g/mol
LogP16.51
Rot. Bonds6

About 7-N,9-N,9-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-4-ylnaphtho[1,2-b][1]benzofuran-7,9-diamine

7-N,9-N,9-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-4-ylnaphtho[1,2-b][1]benzofuran-7,9-diamine (PubChem CID 155483185) has the molecular formula C59H38N2OS and a molecular weight of 823.03 g/mol. Its IUPAC name is 7-N,9-N,9-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-4-ylnaphtho[1,2-b][1]benzofuran-7,9-diamine.

Molecular Properties

Compound Name7-N,9-N,9-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-4-ylnaphtho[1,2-b][1]benzofuran-7,9-diamine
PubChem CID155483185
Molecular FormulaC59H38N2OS
Molecular Weight823.03 g/mol
Exact Mass822.27
IUPAC Name7-N,9-N,9-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-4-ylnaphtho[1,2-b][1]benzofuran-7,9-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)c3c(c2)oc2c4ccccc4ccc23)cc1
InChIInChI=1S/C59H38N2OS/c1-4-20-40(21-5-1)60(41-22-6-2-7-23-41)43-37-52(57-46-36-35-39-19-10-11-26-44(39)58(46)62-53(57)38-43)61(42-24-8-3-9-25-42)51-32-18-31-50-56(51)45-27-12-13-28-47(45)59(50)48-29-14-16-33-54(48)63-55-34-17-15-30-49(55)59/h1-38H
InChIKeyRRHXPHLOCYUZAY-UHFFFAOYSA-N
XLogP16.51
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.03
LogP ≤ 516.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,7-N,7-N-tetraphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-1,3,7-triamine
CID 155484219
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121797
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 177121793
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 174279720
N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine
CID 138476676
N-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170272344
N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 164794305
N-(4-phenanthren-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine
CID 158578435
N-(4-dibenzofuran-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 166939309
N-(4-dibenzofuran-3-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167330275
N-spiro[fluorene-9,9'-thioxanthene]-4-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138477586
4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915518

Frequently Asked Questions

What is the IUPAC name of 7-N,9-N,9-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-4-ylnaphtho[1,2-b][1]benzofuran-7,9-diamine?
The IUPAC name of 7-N,9-N,9-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-4-ylnaphtho[1,2-b][1]benzofuran-7,9-diamine (CID 155483185) is 7-N,9-N,9-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-4-ylnaphtho[1,2-b][1]benzofuran-7,9-diamine.
What is the SMILES notation for 7-N,9-N,9-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-4-ylnaphtho[1,2-b][1]benzofuran-7,9-diamine?
The canonical SMILES for 7-N,9-N,9-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-4-ylnaphtho[1,2-b][1]benzofuran-7,9-diamine is c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)c3c(c2)oc2c4ccccc4ccc23)cc1.
What is the InChIKey of 7-N,9-N,9-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-4-ylnaphtho[1,2-b][1]benzofuran-7,9-diamine?
The InChIKey is RRHXPHLOCYUZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2OS/c1-4-20-40(21-5-1)60(41-22-6-2-7-23-41)43-37-52(57-46-36-35-39-19-10-11-26-44(39)58(46)62-53(57)38-43)61(42-24-8-3-9-25-42)51-32-18-31-50-56(51)45-27-12-13-28-47(45)59(50)48-29-14-16-33-54(48)63-55-34-17-15-30-49(55)59/h1-38H.
What are the key properties of 7-N,9-N,9-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-4-ylnaphtho[1,2-b][1]benzofuran-7,9-diamine?
7-N,9-N,9-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-4-ylnaphtho[1,2-b][1]benzofuran-7,9-diamine has a molecular weight of 823.03 g/mol, XLogP of 16.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,9-N,9-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-4-ylnaphtho[1,2-b][1]benzofuran-7,9-diamine is sourced from PubChem (CID 155483185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).