9,9-bis[4-(benzenesulfonyl)phenyl]fluorene

C37H26O4S2 — CID 122401705

IUPAC9,9-bis[4-(benzenesulfonyl)phenyl]fluorene
SMILESO=S(=O)(c1ccccc1)c1ccc(C2(c3ccc(S(=O)(=O)c4ccccc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C37H26O4S2/c38-42(39,29-11-3-1-4-12-29)31-23-19-27(20-24-31)37(35-17-9-7-15-33(35)34-16-8-10-18-36(34)37)28-21-25-32(26-22-28)43(40,41)30-13-5-2-6-14-30/h1-26H
InChIKeyVPUDRVLLECXNRY-UHFFFAOYSA-N
MW598.75 g/mol
LogP7.72
Rot. Bonds6

About 9,9-bis[4-(benzenesulfonyl)phenyl]fluorene

9,9-bis[4-(benzenesulfonyl)phenyl]fluorene (PubChem CID 122401705) has the molecular formula C37H26O4S2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 9,9-bis[4-(benzenesulfonyl)phenyl]fluorene.

Molecular Properties

Compound Name9,9-bis[4-(benzenesulfonyl)phenyl]fluorene
PubChem CID122401705
Molecular FormulaC37H26O4S2
Molecular Weight598.75 g/mol
Exact Mass598.13
IUPAC Name9,9-bis[4-(benzenesulfonyl)phenyl]fluorene
SMILESO=S(=O)(c1ccccc1)c1ccc(C2(c3ccc(S(=O)(=O)c4ccccc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C37H26O4S2/c38-42(39,29-11-3-1-4-12-29)31-23-19-27(20-24-31)37(35-17-9-7-15-33(35)34-16-8-10-18-36(34)37)28-21-25-32(26-22-28)43(40,41)30-13-5-2-6-14-30/h1-26H
InChIKeyVPUDRVLLECXNRY-UHFFFAOYSA-N
XLogP7.72
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 162192450
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
8-[9-[4-(benzenesulfonyl)phenyl]fluoren-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 155273655
3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline
CID 162169591
9,9-bis(3,4-dimethylphenyl)fluorene;9,9-bis(4-methylphenyl)fluorene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 161144042
9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene
CID 152900210
bis[4-(benzenesulfonyl)phenyl]-[9,9-bis(4-methoxyphenyl)fluoren-2-yl]sulfanium;trifluoromethanesulfonic acid
CID 87320577
4-(9-phenylfluoren-9-yl)benzenethiol
CID 58769505
2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine
CID 155273596
9,9-diphenylfluorene;propane
CID 158205050
9,9-diphenylfluorene;methoxymethane
CID 143139467

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[4-(benzenesulfonyl)phenyl]fluorene?
The IUPAC name of 9,9-bis[4-(benzenesulfonyl)phenyl]fluorene (CID 122401705) is 9,9-bis[4-(benzenesulfonyl)phenyl]fluorene.
What is the SMILES notation for 9,9-bis[4-(benzenesulfonyl)phenyl]fluorene?
The canonical SMILES for 9,9-bis[4-(benzenesulfonyl)phenyl]fluorene is O=S(=O)(c1ccccc1)c1ccc(C2(c3ccc(S(=O)(=O)c4ccccc4)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9,9-bis[4-(benzenesulfonyl)phenyl]fluorene?
The InChIKey is VPUDRVLLECXNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26O4S2/c38-42(39,29-11-3-1-4-12-29)31-23-19-27(20-24-31)37(35-17-9-7-15-33(35)34-16-8-10-18-36(34)37)28-21-25-32(26-22-28)43(40,41)30-13-5-2-6-14-30/h1-26H.
What are the key properties of 9,9-bis[4-(benzenesulfonyl)phenyl]fluorene?
9,9-bis[4-(benzenesulfonyl)phenyl]fluorene has a molecular weight of 598.75 g/mol, XLogP of 7.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[4-(benzenesulfonyl)phenyl]fluorene is sourced from PubChem (CID 122401705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).