4-(4-methylphenyl)sulfonyl-9-phenyl-2,3-dihydro-1H-fluorene

C26H22O2S — CID 132509234

IUPAC4-(4-methylphenyl)sulfonyl-9-phenyl-2,3-dihydro-1H-fluorene
SMILESCc1ccc(S(=O)(=O)C2=C3C(=C(c4ccccc4)c4ccccc43)CCC2)cc1
InChIInChI=1S/C26H22O2S/c1-18-14-16-20(17-15-18)29(27,28)24-13-7-12-23-25(19-8-3-2-4-9-19)21-10-5-6-11-22(21)26(23)24/h2-6,8-11,14-17H,7,12-13H2,1H3
InChIKeyRHIUDWBGXXWAKN-UHFFFAOYSA-N
MW398.53 g/mol
LogP6.18
Rot. Bonds3

About 4-(4-methylphenyl)sulfonyl-9-phenyl-2,3-dihydro-1H-fluorene

4-(4-methylphenyl)sulfonyl-9-phenyl-2,3-dihydro-1H-fluorene (PubChem CID 132509234) has the molecular formula C26H22O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-9-phenyl-2,3-dihydro-1H-fluorene.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-9-phenyl-2,3-dihydro-1H-fluorene
PubChem CID132509234
Molecular FormulaC26H22O2S
Molecular Weight398.53 g/mol
Exact Mass398.13
IUPAC Name4-(4-methylphenyl)sulfonyl-9-phenyl-2,3-dihydro-1H-fluorene
SMILESCc1ccc(S(=O)(=O)C2=C3C(=C(c4ccccc4)c4ccccc43)CCC2)cc1
InChIInChI=1S/C26H22O2S/c1-18-14-16-20(17-15-18)29(27,28)24-13-7-12-23-25(19-8-3-2-4-9-19)21-10-5-6-11-22(21)26(23)24/h2-6,8-11,14-17H,7,12-13H2,1H3
InChIKeyRHIUDWBGXXWAKN-UHFFFAOYSA-N
XLogP6.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.53
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
1,2-dimethyl-4-(4-methylphenyl)sulfonyl-5-phenylcyclohexa-1,4-diene
CID 14022580
7-(benzenesulfonyl)-1-methyl-3-phenyl-1,4,5,6-tetrahydroinden-2-one
CID 11639175
2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene
CID 102599504
2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene
CID 102599502
2,2-dimethyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,4-dihydropyran
CID 132838054
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-9-phenyl-2,3-dihydro-1H-fluorene?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-9-phenyl-2,3-dihydro-1H-fluorene (CID 132509234) is 4-(4-methylphenyl)sulfonyl-9-phenyl-2,3-dihydro-1H-fluorene.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-9-phenyl-2,3-dihydro-1H-fluorene?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-9-phenyl-2,3-dihydro-1H-fluorene is Cc1ccc(S(=O)(=O)C2=C3C(=C(c4ccccc4)c4ccccc43)CCC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-9-phenyl-2,3-dihydro-1H-fluorene?
The InChIKey is RHIUDWBGXXWAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O2S/c1-18-14-16-20(17-15-18)29(27,28)24-13-7-12-23-25(19-8-3-2-4-9-19)21-10-5-6-11-22(21)26(23)24/h2-6,8-11,14-17H,7,12-13H2,1H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-9-phenyl-2,3-dihydro-1H-fluorene?
4-(4-methylphenyl)sulfonyl-9-phenyl-2,3-dihydro-1H-fluorene has a molecular weight of 398.53 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-9-phenyl-2,3-dihydro-1H-fluorene is sourced from PubChem (CID 132509234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).