[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone

C42H34O3 — CID 142193506

IUPAC[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone
SMILESCC(C)(C)Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccccc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C42H34O3/c1-41(2,3)45-35-27-21-32(22-28-35)42(38-15-9-7-13-36(38)37-14-8-10-16-39(37)42)31-19-25-34(26-20-31)44-33-23-17-30(18-24-33)40(43)29-11-5-4-6-12-29/h4-28H,1-3H3
InChIKeyNWHINHYFGOPPEN-UHFFFAOYSA-N
MW586.73 g/mol
LogP10.25
Rot. Bonds7

About [4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone

[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone (PubChem CID 142193506) has the molecular formula C42H34O3 and a molecular weight of 586.73 g/mol. Its IUPAC name is [4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone
PubChem CID142193506
Molecular FormulaC42H34O3
Molecular Weight586.73 g/mol
Exact Mass586.25
IUPAC Name[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone
SMILESCC(C)(C)Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccccc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C42H34O3/c1-41(2,3)45-35-27-21-32(22-28-35)42(38-15-9-7-13-36(38)37-14-8-10-16-39(37)42)31-19-25-34(26-20-31)44-33-23-17-30(18-24-33)40(43)29-11-5-4-6-12-29/h4-28H,1-3H3
InChIKeyNWHINHYFGOPPEN-UHFFFAOYSA-N
XLogP10.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.73
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
[4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone
CID 58769608
[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
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]butan-2-yloxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-(2-chlorobutan-2-yl)phenyl]methanone
CID 66810064
[4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 143546093
methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 160735340
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
tert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate
CID 68898007
N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide
CID 158305023
[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 70475696

Frequently Asked Questions

What is the IUPAC name of [4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone (CID 142193506) is [4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone is CC(C)(C)Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccccc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of [4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone?
The InChIKey is NWHINHYFGOPPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34O3/c1-41(2,3)45-35-27-21-32(22-28-35)42(38-15-9-7-13-36(38)37-14-8-10-16-39(37)42)31-19-25-34(26-20-31)44-33-23-17-30(18-24-33)40(43)29-11-5-4-6-12-29/h4-28H,1-3H3.
What are the key properties of [4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone?
[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone has a molecular weight of 586.73 g/mol, XLogP of 10.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 142193506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).