[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone

C45H40O3 — CID 71000391

IUPAC[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone
SMILESCCC(C)(CC)c1ccc(C(=O)c2ccc(Oc3ccc(C4(c5ccc(OC)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C45H40O3/c1-5-44(3,6-2)33-19-15-31(16-20-33)43(46)32-17-25-37(26-18-32)48-38-29-23-35(24-30-38)45(34-21-27-36(47-4)28-22-34)41-13-9-7-11-39(41)40-12-8-10-14-42(40)45/h7-30H,5-6H2,1-4H3
InChIKeyYRULPMZKUSMSRX-UHFFFAOYSA-N
MW628.81 g/mol
LogP11.16
Rot. Bonds10

About [4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone

[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone (PubChem CID 71000391) has the molecular formula C45H40O3 and a molecular weight of 628.81 g/mol. Its IUPAC name is [4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone
PubChem CID71000391
Molecular FormulaC45H40O3
Molecular Weight628.81 g/mol
Exact Mass628.30
IUPAC Name[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone
SMILESCCC(C)(CC)c1ccc(C(=O)c2ccc(Oc3ccc(C4(c5ccc(OC)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C45H40O3/c1-5-44(3,6-2)33-19-15-31(16-20-33)43(46)32-17-25-37(26-18-32)48-38-29-23-35(24-30-38)45(34-21-27-36(47-4)28-22-34)41-13-9-7-11-39(41)40-12-8-10-14-42(40)45/h7-30H,5-6H2,1-4H3
InChIKeyYRULPMZKUSMSRX-UHFFFAOYSA-N
XLogP11.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.81
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone 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
[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone
CID 142193506
[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-[2-[4-(4-chlorobenzoyl)phenyl]butan-2-yloxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-(2-chlorobutan-2-yl)phenyl]methanone
CID 66810064
methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 160735340
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
[4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone
CID 58769608
1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;[4-[6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;9-(4-methoxyphenyl)-9-[4-[2-methyl-4-[2-(4-methylphenyl)ethynyl]phenoxy]phenyl]fluorene;9-(4-methoxyphenyl)-9-[4-(3-methyl-4-phenylphenoxy)phenyl]fluorene;[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 158736902
9-[4-(2-methylbutan-2-yloxy)phenyl]-9-[4-[4-[4-(2-methylbutan-2-yl)phenyl]phenoxy]phenyl]fluorene
CID 139335005
[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]benzoyl]phenyl]-[4-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]phenyl]methanone
CID 158080049
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] benzoate
CID 21349038

Frequently Asked Questions

What is the IUPAC name of [4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone?
The IUPAC name of [4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone (CID 71000391) is [4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone.
What is the SMILES notation for [4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone?
The canonical SMILES for [4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone is CCC(C)(CC)c1ccc(C(=O)c2ccc(Oc3ccc(C4(c5ccc(OC)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone?
The InChIKey is YRULPMZKUSMSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H40O3/c1-5-44(3,6-2)33-19-15-31(16-20-33)43(46)32-17-25-37(26-18-32)48-38-29-23-35(24-30-38)45(34-21-27-36(47-4)28-22-34)41-13-9-7-11-39(41)40-12-8-10-14-42(40)45/h7-30H,5-6H2,1-4H3.
What are the key properties of [4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone?
[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone has a molecular weight of 628.81 g/mol, XLogP of 11.16, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone is sourced from PubChem (CID 71000391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).