(4-tert-butylphenyl)-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]methanone

C46H42O3 — CID 145044888

IUPAC(4-tert-butylphenyl)-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]methanone
SMILESCC(C)(C)Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccc(C(C)(C)C)cc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C46H42O3/c1-44(2,3)33-19-15-31(16-20-33)43(47)32-17-25-36(26-18-32)48-37-27-21-34(22-28-37)46(35-23-29-38(30-24-35)49-45(4,5)6)41-13-9-7-11-39(41)40-12-8-10-14-42(40)46/h7-30H,1-6H3
InChIKeyOHRTUJLWKNPJRO-UHFFFAOYSA-N
MW642.84 g/mol
LogP11.55
Rot. Bonds7

About (4-tert-butylphenyl)-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]methanone

(4-tert-butylphenyl)-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]methanone (PubChem CID 145044888) has the molecular formula C46H42O3 and a molecular weight of 642.84 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]methanone
PubChem CID145044888
Molecular FormulaC46H42O3
Molecular Weight642.84 g/mol
Exact Mass642.31
IUPAC Name(4-tert-butylphenyl)-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]methanone
SMILESCC(C)(C)Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccc(C(C)(C)C)cc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C46H42O3/c1-44(2,3)33-19-15-31(16-20-33)43(47)32-17-25-36(26-18-32)48-37-27-21-34(22-28-37)46(35-23-29-38(30-24-35)49-45(4,5)6)41-13-9-7-11-39(41)40-12-8-10-14-42(40)46/h7-30H,1-6H3
InChIKeyOHRTUJLWKNPJRO-UHFFFAOYSA-N
XLogP11.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.84
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone
CID 142193506
9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene
CID 152900210
[4-[4-[9-[4-[2-[4-(4-chlorobenzoyl)phenyl]propan-2-yloxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-(2-chlorobutan-2-yl)phenyl]methanone
CID 70667608
[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone
CID 71000391
(4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone
CID 162436505
[4-[4-[9-[4-[2-[4-(4-chlorobenzoyl)phenyl]butan-2-yloxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-(2-chlorobutan-2-yl)phenyl]methanone
CID 66810064
bis[4-(4-tert-butylphenoxy)phenyl]methanone
CID 130415299
[4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone
CID 58769608
[4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 143546093
4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide
CID 3404404
9-[4-(2-methylbutan-2-yloxy)phenyl]-9-[4-[4-[4-(2-methylbutan-2-yl)phenyl]phenoxy]phenyl]fluorene
CID 139335005
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 (4-tert-butylphenyl)-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]methanone (CID 145044888) is (4-tert-butylphenyl)-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]methanone is CC(C)(C)Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccc(C(C)(C)C)cc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]methanone?
The InChIKey is OHRTUJLWKNPJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42O3/c1-44(2,3)33-19-15-31(16-20-33)43(47)32-17-25-36(26-18-32)48-37-27-21-34(22-28-37)46(35-23-29-38(30-24-35)49-45(4,5)6)41-13-9-7-11-39(41)40-12-8-10-14-42(40)46/h7-30H,1-6H3.
What are the key properties of (4-tert-butylphenyl)-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]methanone?
(4-tert-butylphenyl)-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]methanone has a molecular weight of 642.84 g/mol, XLogP of 11.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]methanone is sourced from PubChem (CID 145044888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).