N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(4-phenylphenyl)thioxanthen-4-amine

C52H39NS — CID 118134158

IUPACN-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(4-phenylphenyl)thioxanthen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3Sc3ccccc3C4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C52H39NS/c1-51(2)44-24-13-12-23-42(44)43-34-33-41(35-47(43)51)53(40-31-29-37(30-32-40)36-17-6-3-7-18-36)48-27-16-26-46-50(48)54-49-28-15-14-25-45(49)52(46,38-19-8-4-9-20-38)39-21-10-5-11-22-39/h3-35H,1-2H3
InChIKeyRPZHHKPBKBLZQH-UHFFFAOYSA-N
MW709.96 g/mol
LogP13.98
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(4-phenylphenyl)thioxanthen-4-amine

N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(4-phenylphenyl)thioxanthen-4-amine (PubChem CID 118134158) has the molecular formula C52H39NS and a molecular weight of 709.96 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(4-phenylphenyl)thioxanthen-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(4-phenylphenyl)thioxanthen-4-amine
PubChem CID118134158
Molecular FormulaC52H39NS
Molecular Weight709.96 g/mol
Exact Mass709.28
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(4-phenylphenyl)thioxanthen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3Sc3ccccc3C4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C52H39NS/c1-51(2)44-24-13-12-23-42(44)43-34-33-41(35-47(43)51)53(40-31-29-37(30-32-40)36-17-6-3-7-18-36)48-27-16-26-46-50(48)54-49-28-15-14-25-45(49)52(46,38-19-8-4-9-20-38)39-21-10-5-11-22-39/h3-35H,1-2H3
InChIKeyRPZHHKPBKBLZQH-UHFFFAOYSA-N
XLogP13.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.96
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine
CID 146333787
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-1'-amine
CID 167290013
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 121285751
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-thianthren-1-ylphenyl)fluoren-2-amine
CID 118134212
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
N-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 90274459
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158470030
1-N,3-N'-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N'-diphenylspiro[fluorene-9,9'-thioxanthene]-1,3'-diamine;N,N-bis(9,9-dimethylfluoren-2-yl)-3'-phenylspiro[fluorene-9,9'-thioxanthene]-1-amine;1-N,1-N,3-N'-tris(9,9-dimethylfluoren-2-yl)-3-N'-phenylspiro[fluorene-9,9'-thioxanthene]-1,3'-diamine
CID 157143133
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 134487972
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(4-phenylphenyl)thioxanthen-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(4-phenylphenyl)thioxanthen-4-amine (CID 118134158) is N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(4-phenylphenyl)thioxanthen-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(4-phenylphenyl)thioxanthen-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(4-phenylphenyl)thioxanthen-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3Sc3ccccc3C4(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(4-phenylphenyl)thioxanthen-4-amine?
The InChIKey is RPZHHKPBKBLZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39NS/c1-51(2)44-24-13-12-23-42(44)43-34-33-41(35-47(43)51)53(40-31-29-37(30-32-40)36-17-6-3-7-18-36)48-27-16-26-46-50(48)54-49-28-15-14-25-45(49)52(46,38-19-8-4-9-20-38)39-21-10-5-11-22-39/h3-35H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(4-phenylphenyl)thioxanthen-4-amine?
N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(4-phenylphenyl)thioxanthen-4-amine has a molecular weight of 709.96 g/mol, XLogP of 13.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(4-phenylphenyl)thioxanthen-4-amine is sourced from PubChem (CID 118134158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).