2-[4-[[4-[9-[4-[[4-(2-carboxyphenyl)phenyl]methoxy]-3-naphthalen-1-ylphenyl]fluoren-9-yl]-2-naphthalen-1-ylphenoxy]methyl]phenyl]benzoic acid

C73H50O6 — CID 171472968

IUPAC2-[4-[[4-[9-[4-[[4-(2-carboxyphenyl)phenyl]methoxy]-3-naphthalen-1-ylphenyl]fluoren-9-yl]-2-naphthalen-1-ylphenoxy]methyl]phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(COc2ccc(C3(c4ccc(OCc5ccc(-c6ccccc6C(=O)O)cc5)c(-c5cccc6ccccc56)c4)c4ccccc4-c4ccccc43)cc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C73H50O6/c74-71(75)63-25-7-5-21-57(63)51-35-31-47(32-36-51)45-78-69-41-39-53(43-65(69)59-27-13-17-49-15-1-3-19-55(49)59)73(67-29-11-9-23-61(67)62-24-10-12-30-68(62)73)54-40-42-70(66(44-54)60-28-14-18-50-16-2-4-20-56(50)60)79-46-48-33-37-52(38-34-48)58-22-6-8-26-64(58)72(76)77/h1-44H,45-46H2,(H,74,75)(H,76,77)
InChIKeyHPKIYJLCJRPUGL-UHFFFAOYSA-N
MW1023.20 g/mol
LogP17.58
Rot. Bonds14

About 2-[4-[[4-[9-[4-[[4-(2-carboxyphenyl)phenyl]methoxy]-3-naphthalen-1-ylphenyl]fluoren-9-yl]-2-naphthalen-1-ylphenoxy]methyl]phenyl]benzoic acid

2-[4-[[4-[9-[4-[[4-(2-carboxyphenyl)phenyl]methoxy]-3-naphthalen-1-ylphenyl]fluoren-9-yl]-2-naphthalen-1-ylphenoxy]methyl]phenyl]benzoic acid (PubChem CID 171472968) has the molecular formula C73H50O6 and a molecular weight of 1023.20 g/mol. Its IUPAC name is 2-[4-[[4-[9-[4-[[4-(2-carboxyphenyl)phenyl]methoxy]-3-naphthalen-1-ylphenyl]fluoren-9-yl]-2-naphthalen-1-ylphenoxy]methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[[4-[9-[4-[[4-(2-carboxyphenyl)phenyl]methoxy]-3-naphthalen-1-ylphenyl]fluoren-9-yl]-2-naphthalen-1-ylphenoxy]methyl]phenyl]benzoic acid
PubChem CID171472968
Molecular FormulaC73H50O6
Molecular Weight1023.20 g/mol
Exact Mass1022.36
IUPAC Name2-[4-[[4-[9-[4-[[4-(2-carboxyphenyl)phenyl]methoxy]-3-naphthalen-1-ylphenyl]fluoren-9-yl]-2-naphthalen-1-ylphenoxy]methyl]phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(COc2ccc(C3(c4ccc(OCc5ccc(-c6ccccc6C(=O)O)cc5)c(-c5cccc6ccccc56)c4)c4ccccc4-c4ccccc43)cc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C73H50O6/c74-71(75)63-25-7-5-21-57(63)51-35-31-47(32-36-51)45-78-69-41-39-53(43-65(69)59-27-13-17-49-15-1-3-19-55(49)59)73(67-29-11-9-23-61(67)62-24-10-12-30-68(62)73)54-40-42-70(66(44-54)60-28-14-18-50-16-2-4-20-56(50)60)79-46-48-33-37-52(38-34-48)58-22-6-8-26-64(58)72(76)77/h1-44H,45-46H2,(H,74,75)(H,76,77)
InChIKeyHPKIYJLCJRPUGL-UHFFFAOYSA-N
XLogP17.58
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.20
LogP ≤ 517.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[4-[9-[4-[[4-(2-carboxyphenyl)phenyl]methoxy]-3-naphthalen-1-ylphenyl]fluoren-9-yl]-2-naphthalen-1-ylphenoxy]methyl]phenyl]benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[9-[4-[[4-(2-carboxyphenyl)phenyl]methoxy]-3-naphthalen-1-ylphenyl]fluoren-9-yl]-2-naphthalen-1-ylphenoxy]methyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[[4-[9-[4-[[4-(2-carboxyphenyl)phenyl]methoxy]-3-naphthalen-1-ylphenyl]fluoren-9-yl]-2-naphthalen-1-ylphenoxy]methyl]phenyl]benzoic acid (CID 171472968) is 2-[4-[[4-[9-[4-[[4-(2-carboxyphenyl)phenyl]methoxy]-3-naphthalen-1-ylphenyl]fluoren-9-yl]-2-naphthalen-1-ylphenoxy]methyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[[4-[9-[4-[[4-(2-carboxyphenyl)phenyl]methoxy]-3-naphthalen-1-ylphenyl]fluoren-9-yl]-2-naphthalen-1-ylphenoxy]methyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[[4-[9-[4-[[4-(2-carboxyphenyl)phenyl]methoxy]-3-naphthalen-1-ylphenyl]fluoren-9-yl]-2-naphthalen-1-ylphenoxy]methyl]phenyl]benzoic acid is O=C(O)c1ccccc1-c1ccc(COc2ccc(C3(c4ccc(OCc5ccc(-c6ccccc6C(=O)O)cc5)c(-c5cccc6ccccc56)c4)c4ccccc4-c4ccccc43)cc2-c2cccc3ccccc23)cc1.
What is the InChIKey of 2-[4-[[4-[9-[4-[[4-(2-carboxyphenyl)phenyl]methoxy]-3-naphthalen-1-ylphenyl]fluoren-9-yl]-2-naphthalen-1-ylphenoxy]methyl]phenyl]benzoic acid?
The InChIKey is HPKIYJLCJRPUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H50O6/c74-71(75)63-25-7-5-21-57(63)51-35-31-47(32-36-51)45-78-69-41-39-53(43-65(69)59-27-13-17-49-15-1-3-19-55(49)59)73(67-29-11-9-23-61(67)62-24-10-12-30-68(62)73)54-40-42-70(66(44-54)60-28-14-18-50-16-2-4-20-56(50)60)79-46-48-33-37-52(38-34-48)58-22-6-8-26-64(58)72(76)77/h1-44H,45-46H2,(H,74,75)(H,76,77).
What are the key properties of 2-[4-[[4-[9-[4-[[4-(2-carboxyphenyl)phenyl]methoxy]-3-naphthalen-1-ylphenyl]fluoren-9-yl]-2-naphthalen-1-ylphenoxy]methyl]phenyl]benzoic acid?
2-[4-[[4-[9-[4-[[4-(2-carboxyphenyl)phenyl]methoxy]-3-naphthalen-1-ylphenyl]fluoren-9-yl]-2-naphthalen-1-ylphenoxy]methyl]phenyl]benzoic acid has a molecular weight of 1023.20 g/mol, XLogP of 17.58, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[9-[4-[[4-(2-carboxyphenyl)phenyl]methoxy]-3-naphthalen-1-ylphenyl]fluoren-9-yl]-2-naphthalen-1-ylphenoxy]methyl]phenyl]benzoic acid is sourced from PubChem (CID 171472968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).