6-[10-(3,5-diphenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine

C57H37NS — CID 146215717

IUPAC6-[10-(3,5-diphenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine
SMILESNc1cccc2c1-c1cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc34)ccc1C21c2ccccc2Sc2ccccc21
InChIInChI=1S/C57H37NS/c58-51-27-15-26-50-56(51)46-35-38(30-31-47(46)57(50)48-24-11-13-28-52(48)59-53-29-14-12-25-49(53)57)54-42-20-7-9-22-44(42)55(45-23-10-8-21-43(45)54)41-33-39(36-16-3-1-4-17-36)32-40(34-41)37-18-5-2-6-19-37/h1-35H,58H2
InChIKeyLFZGUILGIBDKES-UHFFFAOYSA-N
MW768.00 g/mol
LogP15.07
Rot. Bonds4

About 6-[10-(3,5-diphenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine

6-[10-(3,5-diphenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine (PubChem CID 146215717) has the molecular formula C57H37NS and a molecular weight of 768.00 g/mol. Its IUPAC name is 6-[10-(3,5-diphenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine.

Molecular Properties

Compound Name6-[10-(3,5-diphenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine
PubChem CID146215717
Molecular FormulaC57H37NS
Molecular Weight768.00 g/mol
Exact Mass767.26
IUPAC Name6-[10-(3,5-diphenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine
SMILESNc1cccc2c1-c1cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc34)ccc1C21c2ccccc2Sc2ccccc21
InChIInChI=1S/C57H37NS/c58-51-27-15-26-50-56(51)46-35-38(30-31-47(46)57(50)48-24-11-13-28-52(48)59-53-29-14-12-25-49(53)57)54-42-20-7-9-22-44(42)55(45-23-10-8-21-43(45)54)41-33-39(36-16-3-1-4-17-36)32-40(34-41)37-18-5-2-6-19-37/h1-35H,58H2
InChIKeyLFZGUILGIBDKES-UHFFFAOYSA-N
XLogP15.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.00
LogP ≤ 515.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,9'-thioxanthene]-4-amine
CID 146215712
2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]
CID 167178487
4'-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine
CID 146215833
5-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]-3-amine
CID 146215631
N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine
CID 138476676
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-thioxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 166738043
14',21'-bis(3,5-diphenylphenyl)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene]
CID 58175351
2'-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-9,9-dimethylspiro[anthracene-10,9'-thioxanthene]
CID 166995957
2,6-diphenyl-9,9'-spirobi[thioxanthene]
CID 118698152
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873

Frequently Asked Questions

What is the IUPAC name of 6-[10-(3,5-diphenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine?
The IUPAC name of 6-[10-(3,5-diphenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine (CID 146215717) is 6-[10-(3,5-diphenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine.
What is the SMILES notation for 6-[10-(3,5-diphenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine?
The canonical SMILES for 6-[10-(3,5-diphenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine is Nc1cccc2c1-c1cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc34)ccc1C21c2ccccc2Sc2ccccc21.
What is the InChIKey of 6-[10-(3,5-diphenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine?
The InChIKey is LFZGUILGIBDKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NS/c58-51-27-15-26-50-56(51)46-35-38(30-31-47(46)57(50)48-24-11-13-28-52(48)59-53-29-14-12-25-49(53)57)54-42-20-7-9-22-44(42)55(45-23-10-8-21-43(45)54)41-33-39(36-16-3-1-4-17-36)32-40(34-41)37-18-5-2-6-19-37/h1-35H,58H2.
What are the key properties of 6-[10-(3,5-diphenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine?
6-[10-(3,5-diphenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine has a molecular weight of 768.00 g/mol, XLogP of 15.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(3,5-diphenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine is sourced from PubChem (CID 146215717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).