9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine

C58H41NS — CID 146333787

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc4c3C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C58H41NS/c1-57(2)48-24-9-6-19-42(48)44-36-35-41(37-52(44)57)59(40-33-31-39(32-34-40)38-17-4-3-5-18-38)53-28-13-8-21-45(53)47-23-16-22-46-43-20-7-10-25-49(43)58(56(46)47)50-26-11-14-29-54(50)60-55-30-15-12-27-51(55)58/h3-37H,1-2H3
InChIKeyIMJMNXCBWPHGTM-UHFFFAOYSA-N
MW784.04 g/mol
LogP15.62
Rot. Bonds5

About 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine (PubChem CID 146333787) has the molecular formula C58H41NS and a molecular weight of 784.04 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine
PubChem CID146333787
Molecular FormulaC58H41NS
Molecular Weight784.04 g/mol
Exact Mass783.30
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc4c3C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C58H41NS/c1-57(2)48-24-9-6-19-42(48)44-36-35-41(37-52(44)57)59(40-33-31-39(32-34-40)38-17-4-3-5-18-38)53-28-13-8-21-45(53)47-23-16-22-46-43-20-7-10-25-49(43)58(56(46)47)50-26-11-14-29-54(50)60-55-30-15-12-27-51(55)58/h3-37H,1-2H3
InChIKeyIMJMNXCBWPHGTM-UHFFFAOYSA-N
XLogP15.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.04
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-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

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-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 168750038
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]fluoren-2-amine
CID 155280447
N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(4-phenylphenyl)thioxanthen-4-amine
CID 118134158
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]fluoren-2-amine
CID 130379595
N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 137448810
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine
CID 164730805
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-1'-amine
CID 167290013
N-(9,9-dimethylfluoren-2-yl)-1,8'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 147050983
2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 170218393
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[8-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]fluoren-2-amine
CID 130379426

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine (CID 146333787) is 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc4c3C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)cc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine?
The InChIKey is IMJMNXCBWPHGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NS/c1-57(2)48-24-9-6-19-42(48)44-36-35-41(37-52(44)57)59(40-33-31-39(32-34-40)38-17-4-3-5-18-38)53-28-13-8-21-45(53)47-23-16-22-46-43-20-7-10-25-49(43)58(56(46)47)50-26-11-14-29-54(50)60-55-30-15-12-27-51(55)58/h3-37H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine has a molecular weight of 784.04 g/mol, XLogP of 15.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 146333787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).