N-[3-(2-naphthalen-2-ylphenyl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-amine

C47H31NS — CID 164707085

IUPACN-[3-(2-naphthalen-2-ylphenyl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-amine
SMILESc1cc(Nc2cccc3c2Sc2ccccc2C32c3ccccc3-c3ccccc32)cc(-c2ccccc2-c2ccc3ccccc3c2)c1
InChIInChI=1S/C47H31NS/c1-2-14-32-29-34(28-27-31(32)13-1)37-18-4-3-17-36(37)33-15-11-16-35(30-33)48-44-25-12-24-43-46(44)49-45-26-10-9-23-42(45)47(43)40-21-7-5-19-38(40)39-20-6-8-22-41(39)47/h1-30,48H
InChIKeyQGZFORRMXOAFSR-UHFFFAOYSA-N
MW641.84 g/mol
LogP12.75
Rot. Bonds4

About N-[3-(2-naphthalen-2-ylphenyl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-amine

N-[3-(2-naphthalen-2-ylphenyl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-amine (PubChem CID 164707085) has the molecular formula C47H31NS and a molecular weight of 641.84 g/mol. Its IUPAC name is N-[3-(2-naphthalen-2-ylphenyl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-amine.

Molecular Properties

Compound NameN-[3-(2-naphthalen-2-ylphenyl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-amine
PubChem CID164707085
Molecular FormulaC47H31NS
Molecular Weight641.84 g/mol
Exact Mass641.22
IUPAC NameN-[3-(2-naphthalen-2-ylphenyl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-amine
SMILESc1cc(Nc2cccc3c2Sc2ccccc2C32c3ccccc3-c3ccccc32)cc(-c2ccccc2-c2ccc3ccccc3c2)c1
InChIInChI=1S/C47H31NS/c1-2-14-32-29-34(28-27-31(32)13-1)37-18-4-3-17-36(37)33-15-11-16-35(30-33)48-44-25-12-24-43-46(44)49-45-26-10-9-23-42(45)47(43)40-21-7-5-19-38(40)39-20-6-8-22-41(39)47/h1-30,48H
InChIKeyQGZFORRMXOAFSR-UHFFFAOYSA-N
XLogP12.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.84
LogP ≤ 512.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 172544682
CID 146184561
CID 146184561
3'-chloro-4'-naphthalen-2-ylspiro[fluorene-9,9'-thioxanthene]
CID 168799164
2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine
CID 166737951
2-naphthalen-2-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)-1,3,5-triazine
CID 146327029
N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476072
N-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 166959966
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
6'-[(2-methylpropan-2-yl)oxy]-N-[3-(3-phenanthren-2-ylphenyl)phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-amine
CID 164707130
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 153049310
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)-1,3,5-triazine
CID 142469864
4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)pyrimidine
CID 167178243

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-naphthalen-2-ylphenyl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-amine?
The IUPAC name of N-[3-(2-naphthalen-2-ylphenyl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-amine (CID 164707085) is N-[3-(2-naphthalen-2-ylphenyl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-amine.
What is the SMILES notation for N-[3-(2-naphthalen-2-ylphenyl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-amine?
The canonical SMILES for N-[3-(2-naphthalen-2-ylphenyl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-amine is c1cc(Nc2cccc3c2Sc2ccccc2C32c3ccccc3-c3ccccc32)cc(-c2ccccc2-c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[3-(2-naphthalen-2-ylphenyl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-amine?
The InChIKey is QGZFORRMXOAFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31NS/c1-2-14-32-29-34(28-27-31(32)13-1)37-18-4-3-17-36(37)33-15-11-16-35(30-33)48-44-25-12-24-43-46(44)49-45-26-10-9-23-42(45)47(43)40-21-7-5-19-38(40)39-20-6-8-22-41(39)47/h1-30,48H.
What are the key properties of N-[3-(2-naphthalen-2-ylphenyl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-amine?
N-[3-(2-naphthalen-2-ylphenyl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-amine has a molecular weight of 641.84 g/mol, XLogP of 12.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-naphthalen-2-ylphenyl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-amine is sourced from PubChem (CID 164707085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).