1,5-bis(4-fluorophenyl)-10-sulfanylideneanthracen-9-one

C26H14F2OS — CID 154306004

IUPAC1,5-bis(4-fluorophenyl)-10-sulfanylideneanthracen-9-one
SMILESO=C1c2cccc(-c3ccc(F)cc3)c2C(=S)c2cccc(-c3ccc(F)cc3)c21
InChIInChI=1S/C26H14F2OS/c27-17-11-7-15(8-12-17)19-3-2-6-22-23(19)25(29)21-5-1-4-20(24(21)26(22)30)16-9-13-18(28)14-10-16/h1-14H
InChIKeyPZTREXBKMLYNJK-UHFFFAOYSA-N
MW412.46 g/mol
LogP6.61
Rot. Bonds2

About 1,5-bis(4-fluorophenyl)-10-sulfanylideneanthracen-9-one

1,5-bis(4-fluorophenyl)-10-sulfanylideneanthracen-9-one (PubChem CID 154306004) has the molecular formula C26H14F2OS and a molecular weight of 412.46 g/mol. Its IUPAC name is 1,5-bis(4-fluorophenyl)-10-sulfanylideneanthracen-9-one.

Molecular Properties

Compound Name1,5-bis(4-fluorophenyl)-10-sulfanylideneanthracen-9-one
PubChem CID154306004
Molecular FormulaC26H14F2OS
Molecular Weight412.46 g/mol
Exact Mass412.07
IUPAC Name1,5-bis(4-fluorophenyl)-10-sulfanylideneanthracen-9-one
SMILESO=C1c2cccc(-c3ccc(F)cc3)c2C(=S)c2cccc(-c3ccc(F)cc3)c21
InChIInChI=1S/C26H14F2OS/c27-17-11-7-15(8-12-17)19-3-2-6-22-23(19)25(29)21-5-1-4-20(24(21)26(22)30)16-9-13-18(28)14-10-16/h1-14H
InChIKeyPZTREXBKMLYNJK-UHFFFAOYSA-N
XLogP6.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1,8-bis(4-methylphenyl)-10-sulfanylideneanthracen-9-one
CID 154309028
1,2,4-tris(4-fluorophenyl)anthracene-9,10-dione
CID 53392838
1,8-diphenylanthracene-9,10-dione
CID 12637584
1-[2-(4-chlorophenyl)phenyl]fluoren-9-one
CID 130380105
1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene
CID 57054132
1,3-bis(4-fluorophenyl)-2-methylbenzene
CID 58586629
1-[4-(N-phenylanilino)phenyl]anthracene-9,10-dione
CID 155920076
1-amino-5-phenylanthracene-9,10-dione
CID 154123056
2-(4-fluorophenyl)-6-methylbenzenesulfonic acid
CID 154370865
2-amino-4-(4-fluorophenyl)-9-(1-methylpyrazol-4-yl)indeno[1,2-d]pyrimidin-5-one
CID 67199232
4-(4-phenylphenyl)fluoren-9-one
CID 129258983
2-amino-9-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one
CID 51353560

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-fluorophenyl)-10-sulfanylideneanthracen-9-one?
The IUPAC name of 1,5-bis(4-fluorophenyl)-10-sulfanylideneanthracen-9-one (CID 154306004) is 1,5-bis(4-fluorophenyl)-10-sulfanylideneanthracen-9-one.
What is the SMILES notation for 1,5-bis(4-fluorophenyl)-10-sulfanylideneanthracen-9-one?
The canonical SMILES for 1,5-bis(4-fluorophenyl)-10-sulfanylideneanthracen-9-one is O=C1c2cccc(-c3ccc(F)cc3)c2C(=S)c2cccc(-c3ccc(F)cc3)c21.
What is the InChIKey of 1,5-bis(4-fluorophenyl)-10-sulfanylideneanthracen-9-one?
The InChIKey is PZTREXBKMLYNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F2OS/c27-17-11-7-15(8-12-17)19-3-2-6-22-23(19)25(29)21-5-1-4-20(24(21)26(22)30)16-9-13-18(28)14-10-16/h1-14H.
What are the key properties of 1,5-bis(4-fluorophenyl)-10-sulfanylideneanthracen-9-one?
1,5-bis(4-fluorophenyl)-10-sulfanylideneanthracen-9-one has a molecular weight of 412.46 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-fluorophenyl)-10-sulfanylideneanthracen-9-one is sourced from PubChem (CID 154306004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).