9-(4-fluorophenyl)sulfanyl-10-phenylphenanthrene

C26H17FS — CID 71560273

IUPAC9-(4-fluorophenyl)sulfanyl-10-phenylphenanthrene
SMILESFc1ccc(Sc2c(-c3ccccc3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C26H17FS/c27-19-14-16-20(17-15-19)28-26-24-13-7-5-11-22(24)21-10-4-6-12-23(21)25(26)18-8-2-1-3-9-18/h1-17H
InChIKeyYTSDRPZLVWKWIB-UHFFFAOYSA-N
MW380.49 g/mol
LogP7.95
Rot. Bonds3

About 9-(4-fluorophenyl)sulfanyl-10-phenylphenanthrene

9-(4-fluorophenyl)sulfanyl-10-phenylphenanthrene (PubChem CID 71560273) has the molecular formula C26H17FS and a molecular weight of 380.49 g/mol. Its IUPAC name is 9-(4-fluorophenyl)sulfanyl-10-phenylphenanthrene.

Molecular Properties

Compound Name9-(4-fluorophenyl)sulfanyl-10-phenylphenanthrene
PubChem CID71560273
Molecular FormulaC26H17FS
Molecular Weight380.49 g/mol
Exact Mass380.10
IUPAC Name9-(4-fluorophenyl)sulfanyl-10-phenylphenanthrene
SMILESFc1ccc(Sc2c(-c3ccccc3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C26H17FS/c27-19-14-16-20(17-15-19)28-26-24-13-7-5-11-22(24)21-10-4-6-12-23(21)25(26)18-8-2-1-3-9-18/h1-17H
InChIKeyYTSDRPZLVWKWIB-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,9-diphenyl-10-[4-[10-(4-phenylphenyl)sulfanylanthracen-9-yl]phenyl]anthracene
CID 89025419
9-(2-methylphenyl)-10-phenylsulfanylphenanthrene
CID 71560393
1,2,3,4-tetrakis(4-fluorophenyl)triphenylene
CID 167529952
2-(4-fluorophenyl)sulfanylbenzoic acid
CID 14418768
1,2,3,4-tetrafluoro-5,6-bis(phenylsulfanyl)benzene
CID 12686597
1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene
CID 57054132
[4-[11,12-bis(4-fluorophenyl)-6-(4-phosphanylphenyl)tetracen-5-yl]phenyl]phosphane
CID 89166315
9-[3-methyl-4-(4-phenylphenyl)sulfanylphenyl]-10-phenylanthracene
CID 142424791
lithium;1-fluoro-4-phenylbenzene;hydride
CID 173443965
2-fluoro-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene
CID 167155318
10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene
CID 88877574
2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one
CID 19067574

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)sulfanyl-10-phenylphenanthrene?
The IUPAC name of 9-(4-fluorophenyl)sulfanyl-10-phenylphenanthrene (CID 71560273) is 9-(4-fluorophenyl)sulfanyl-10-phenylphenanthrene.
What is the SMILES notation for 9-(4-fluorophenyl)sulfanyl-10-phenylphenanthrene?
The canonical SMILES for 9-(4-fluorophenyl)sulfanyl-10-phenylphenanthrene is Fc1ccc(Sc2c(-c3ccccc3)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of 9-(4-fluorophenyl)sulfanyl-10-phenylphenanthrene?
The InChIKey is YTSDRPZLVWKWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FS/c27-19-14-16-20(17-15-19)28-26-24-13-7-5-11-22(24)21-10-4-6-12-23(21)25(26)18-8-2-1-3-9-18/h1-17H.
What are the key properties of 9-(4-fluorophenyl)sulfanyl-10-phenylphenanthrene?
9-(4-fluorophenyl)sulfanyl-10-phenylphenanthrene has a molecular weight of 380.49 g/mol, XLogP of 7.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)sulfanyl-10-phenylphenanthrene is sourced from PubChem (CID 71560273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).