4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid

C51H34O6 — CID 69231179

IUPAC4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C(=O)O)cc5)c(-c5ccccc5)c4)c4ccccc4-c4ccccc43)cc2-c2ccccc2)cc1
InChIInChI=1S/C51H34O6/c52-49(53)35-19-25-39(26-20-35)56-47-29-23-37(31-43(47)33-11-3-1-4-12-33)51(45-17-9-7-15-41(45)42-16-8-10-18-46(42)51)38-24-30-48(44(32-38)34-13-5-2-6-14-34)57-40-27-21-36(22-28-40)50(54)55/h1-32H,(H,52,53)(H,54,55)
InChIKeyIBJYRESTWCEYGT-UHFFFAOYSA-N
MW742.83 g/mol
LogP12.36
Rot. Bonds10

About 4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid

4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid (PubChem CID 69231179) has the molecular formula C51H34O6 and a molecular weight of 742.83 g/mol. Its IUPAC name is 4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid.

Molecular Properties

Compound Name4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid
PubChem CID69231179
Molecular FormulaC51H34O6
Molecular Weight742.83 g/mol
Exact Mass742.24
IUPAC Name4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C(=O)O)cc5)c(-c5ccccc5)c4)c4ccccc4-c4ccccc43)cc2-c2ccccc2)cc1
InChIInChI=1S/C51H34O6/c52-49(53)35-19-25-39(26-20-35)56-47-29-23-37(31-43(47)33-11-3-1-4-12-33)51(45-17-9-7-15-41(45)42-16-8-10-18-46(42)51)38-24-30-48(44(32-38)34-13-5-2-6-14-34)57-40-27-21-36(22-28-40)50(54)55/h1-32H,(H,52,53)(H,54,55)
InChIKeyIBJYRESTWCEYGT-UHFFFAOYSA-N
XLogP12.36
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.83
LogP ≤ 512.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-3-carboxylic acid
CID 139816339
2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
CID 155660366
2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
CID 146666746
[2-(4-ethoxyphenyl)-4-[9-[3-(4-ethoxyphenyl)-4-methoxyphenyl]fluoren-9-yl]phenyl] benzoate
CID 58752865
2-[4-[9-[4-(2-amino-3-methylphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-6-methylaniline
CID 139768943
[4-[9-[4-methoxy-3-(4-methylphenyl)phenyl]fluoren-9-yl]-2-(4-methylphenyl)phenyl] benzoate
CID 58752871
4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride
CID 101011694
4-(2,6-diphenylphenoxy)benzoic acid
CID 139330345
[4-[4-[9-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-benzylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;9-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene;4-[4-[4-(4-benzylphenyl)sulfonylphenoxy]-3-phenylphenyl]-1-[4-(4-methylphenyl)sulfonylphenoxy]-2-phenylbenzene;ethane;methanesulfonic acid
CID 158257887
[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone
CID 142193506
5-[4-[9-[4-[ethenyl-[4-[9-[4-(3-hydroxy-4-nitrophenoxy)-3-phenylphenyl]fluoren-9-yl]phenoxy]-phenylsilyl]oxyphenyl]fluoren-9-yl]-2-phenylphenoxy]-2-nitrophenol
CID 175505475
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
CID 161120725

Frequently Asked Questions

What is the IUPAC name of 4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid?
The IUPAC name of 4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid (CID 69231179) is 4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid.
What is the SMILES notation for 4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid?
The canonical SMILES for 4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid is O=C(O)c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C(=O)O)cc5)c(-c5ccccc5)c4)c4ccccc4-c4ccccc43)cc2-c2ccccc2)cc1.
What is the InChIKey of 4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid?
The InChIKey is IBJYRESTWCEYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34O6/c52-49(53)35-19-25-39(26-20-35)56-47-29-23-37(31-43(47)33-11-3-1-4-12-33)51(45-17-9-7-15-41(45)42-16-8-10-18-46(42)51)38-24-30-48(44(32-38)34-13-5-2-6-14-34)57-40-27-21-36(22-28-40)50(54)55/h1-32H,(H,52,53)(H,54,55).
What are the key properties of 4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid?
4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid has a molecular weight of 742.83 g/mol, XLogP of 12.36, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid is sourced from PubChem (CID 69231179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).