N,9,9-triphenylthioxanthen-2-amine

C31H23NS — CID 166844536

IUPACN,9,9-triphenylthioxanthen-2-amine
SMILESc1ccc(Nc2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2S3)cc1
InChIInChI=1S/C31H23NS/c1-4-12-23(13-5-1)31(24-14-6-2-7-15-24)27-18-10-11-19-29(27)33-30-21-20-26(22-28(30)31)32-25-16-8-3-9-17-25/h1-22,32H
InChIKeyWKMRNSOUGXNSGI-UHFFFAOYSA-N
MW441.60 g/mol
LogP8.28
Rot. Bonds4

About N,9,9-triphenylthioxanthen-2-amine

N,9,9-triphenylthioxanthen-2-amine (PubChem CID 166844536) has the molecular formula C31H23NS and a molecular weight of 441.60 g/mol. Its IUPAC name is N,9,9-triphenylthioxanthen-2-amine.

Molecular Properties

Compound NameN,9,9-triphenylthioxanthen-2-amine
PubChem CID166844536
Molecular FormulaC31H23NS
Molecular Weight441.60 g/mol
Exact Mass441.16
IUPAC NameN,9,9-triphenylthioxanthen-2-amine
SMILESc1ccc(Nc2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2S3)cc1
InChIInChI=1S/C31H23NS/c1-4-12-23(13-5-1)31(24-14-6-2-7-15-24)27-18-10-11-19-29(27)33-30-21-20-26(22-28(30)31)32-25-16-8-3-9-17-25/h1-22,32H
InChIKeyWKMRNSOUGXNSGI-UHFFFAOYSA-N
XLogP8.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.60
LogP ≤ 58.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,9,9-triphenylxanthen-2-amine
CID 169292905
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
2-N,7-N-bis(4-fluorophenyl)-9,9-diphenylfluorene-2,7-diamine
CID 172547033
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
9,9-diphenyl-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 175823474
4-[9-(4-hydroxyphenyl)thioxanthen-9-yl]phenol
CID 59289749
2,4-diphenyl-6-[4-[4-(9-phenylthioxanthen-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 146388529
N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 177113841
N-(2-chlorophenyl)-9,9-diphenylfluoren-2-amine
CID 126695799
N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine
CID 169305210
N-phenylphenoxathiin-2-amine
CID 166714584
2,6-diphenyl-9,9'-spirobi[thioxanthene]
CID 118698152

Frequently Asked Questions

What is the IUPAC name of N,9,9-triphenylthioxanthen-2-amine?
The IUPAC name of N,9,9-triphenylthioxanthen-2-amine (CID 166844536) is N,9,9-triphenylthioxanthen-2-amine.
What is the SMILES notation for N,9,9-triphenylthioxanthen-2-amine?
The canonical SMILES for N,9,9-triphenylthioxanthen-2-amine is c1ccc(Nc2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2S3)cc1.
What is the InChIKey of N,9,9-triphenylthioxanthen-2-amine?
The InChIKey is WKMRNSOUGXNSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NS/c1-4-12-23(13-5-1)31(24-14-6-2-7-15-24)27-18-10-11-19-29(27)33-30-21-20-26(22-28(30)31)32-25-16-8-3-9-17-25/h1-22,32H.
What are the key properties of N,9,9-triphenylthioxanthen-2-amine?
N,9,9-triphenylthioxanthen-2-amine has a molecular weight of 441.60 g/mol, XLogP of 8.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,9,9-triphenylthioxanthen-2-amine is sourced from PubChem (CID 166844536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).