9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene

C45H42O4S — CID 152900210

IUPAC9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene
SMILESCC(C)(C)Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4(c5ccc(C(C)(C)C)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C45H42O4S/c1-43(2,3)31-15-17-32(18-16-31)45(41-13-9-7-11-39(41)40-12-8-10-14-42(40)45)33-19-21-34(22-20-33)48-35-23-27-37(28-24-35)50(46,47)38-29-25-36(26-30-38)49-44(4,5)6/h7-30H,1-6H3
InChIKeyUFEOLNCYGLAJSG-UHFFFAOYSA-N
MW678.89 g/mol
LogP11.15
Rot. Bonds7

About 9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene

9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene (PubChem CID 152900210) has the molecular formula C45H42O4S and a molecular weight of 678.89 g/mol. Its IUPAC name is 9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene.

Molecular Properties

Compound Name9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene
PubChem CID152900210
Molecular FormulaC45H42O4S
Molecular Weight678.89 g/mol
Exact Mass678.28
IUPAC Name9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene
SMILESCC(C)(C)Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4(c5ccc(C(C)(C)C)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C45H42O4S/c1-43(2,3)31-15-17-32(18-16-31)45(41-13-9-7-11-39(41)40-12-8-10-14-42(40)45)33-19-21-34(22-20-33)48-35-23-27-37(28-24-35)50(46,47)38-29-25-36(26-30-38)49-44(4,5)6/h7-30H,1-6H3
InChIKeyUFEOLNCYGLAJSG-UHFFFAOYSA-N
XLogP11.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.89
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene with MolForge

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Related Compounds

(4-tert-butylphenyl)-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]methanone
CID 145044888
1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene
CID 155030070
[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone
CID 142193506
1-tert-butyl-4-[1-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]ethyl]benzene
CID 155477330
1-[4-(4-tert-butylphenyl)sulfonylphenoxy]-4-[3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclopentyl]benzene
CID 91564668
9,9-bis[4-(benzenesulfonyl)phenyl]fluorene
CID 122401705
3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline
CID 162169591
2-[2-[4-[9-[4-[2-cyano-3-[2-[4-[4-(2-cyano-3-methylphenoxy)phenyl]sulfonylphenoxy]propan-2-yl]phenoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl]-6-methylbenzonitrile
CID 147775422
1-[(2-methylpropan-2-yl)oxy]-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 153455633
9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 162192450
1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene
CID 142408445
methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 160735340

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene?
The IUPAC name of 9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene (CID 152900210) is 9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene.
What is the SMILES notation for 9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene?
The canonical SMILES for 9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene is CC(C)(C)Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4(c5ccc(C(C)(C)C)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of 9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene?
The InChIKey is UFEOLNCYGLAJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H42O4S/c1-43(2,3)31-15-17-32(18-16-31)45(41-13-9-7-11-39(41)40-12-8-10-14-42(40)45)33-19-21-34(22-20-33)48-35-23-27-37(28-24-35)50(46,47)38-29-25-36(26-30-38)49-44(4,5)6/h7-30H,1-6H3.
What are the key properties of 9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene?
9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene has a molecular weight of 678.89 g/mol, XLogP of 11.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene is sourced from PubChem (CID 152900210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).