4-[[3-[[3-[7-[3,5-bis[[3-[(4-carboxyphenyl)methoxy]-5-[(4-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]-9H-fluoren-2-yl]-5-[[3,5-bis[(4-carboxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxyphenyl)methoxy]phenoxy]methyl]benzoic acid

C115H90O26 — CID 59711211

About 4-[[3-[[3-[7-[3,5-bis[[3-[(4-carboxyphenyl)methoxy]-5-[(4-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]-9H-fluoren-2-yl]-5-[[3,5-bis[(4-carboxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxyphenyl)methoxy]phenoxy]methyl]benzoic acid

4-[[3-[[3-[7-[3,5-bis[[3-[(4-carboxyphenyl)methoxy]-5-[(4-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]-9H-fluoren-2-yl]-5-[[3,5-bis[(4-carboxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxyphenyl)methoxy]phenoxy]methyl]benzoic acid (PubChem CID 59711211) has the molecular formula C115H90O26 and a molecular weight of 1887.96 g/mol. Its IUPAC name is 4-[[3-[[3-[7-[3,5-bis[[3-[(4-carboxyphenyl)methoxy]-5-[(4-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]-9H-fluoren-2-yl]-5-[[3,5-bis[(4-carboxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxyphenyl)methoxy]phenoxy]methyl]benzoic acid.

Molecular Properties

• Compound Name: 4-[[3-[[3-[7-[3,5-bis[[3-[(4-carboxyphenyl)methoxy]-5-[(4-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]-9H-fluoren-2-yl]-5-[[3,5-bis[(4-carboxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxyphenyl)methoxy]phenoxy]methyl]benzoic acid
• PubChem CID: 59711211
• Molecular Formula: C115H90O26
• Molecular Weight: 1887.96 g/mol
• Exact Mass: 1886.57
• IUPAC Name: 4-[[3-[[3-[7-[3,5-bis[[3-[(4-carboxyphenyl)methoxy]-5-[(4-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]-9H-fluoren-2-yl]-5-[[3,5-bis[(4-carboxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxyphenyl)methoxy]phenoxy]methyl]benzoic acid
• SMILES: O=C(O)c1ccc(COc2cc(COc3cc(OCc4cc(OCc5ccc(O)cc5)cc(OCc5ccc(C(=O)O)cc5)c4)cc(-c4ccc5c(c4)Cc4cc(-c6cc(OCc7cc(OCc8ccc(C(=O)O)cc8)cc(OCc8ccc(C(=O)O)cc8)c7)cc(OCc7cc(OCc8ccc(C(=O)O)cc8)cc(OCc8ccc(C(=O)O)cc8)c7)c6)ccc4-5)c3)cc(OCc3ccc(O)cc3)c2)cc1
• InChI: InChI=1S/C115H90O26/c116-94-31-13-76(14-32-94)64-136-102-43-80(41-100(54-102)134-62-74-9-25-86(26-10-74)114(126)127)68-140-106-50-91(51-107(57-106)141-69-81-42-101(135-63-75-11-27-87(28-12-75)115(128)129)55-103(44-81)137-65-77-15-33-95(117)34-16-77)89-30-36-109-93(46-89)47-92-45-88(29-35-108(92)109)90-48-104(138-66-78-37-96(130-58-70-1-17-82(18-2-70)110(118)119)52-97(38-78)131-59-71-3-19-83(20-4-71)111(120)121)56-105(49-90)139-67-79-39-98(132-60-72-5-21-84(22-6-72)112(122)123)53-99(40-79)133-61-73-7-23-85(24-8-73)113(124)125/h1-46,48-57,116-117H,47,58-69H2,(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,128,129)
• InChIKey: BHVZJOBVQOTYAF-UHFFFAOYSA-N
• XLogP: 23.14
• TPSA: 375.02 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 44
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1887.96
LogP ≤ 5	23.14
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[3-[7-[3,5-bis[[3-[(4-carboxyphenyl)methoxy]-5-[(4-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]-9H-fluoren-2-yl]-5-[[3,5-bis[(4-carboxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxyphenyl)methoxy]phenoxy]methyl]benzoic acid?

The IUPAC name of 4-[[3-[[3-[7-[3,5-bis[[3-[(4-carboxyphenyl)methoxy]-5-[(4-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]-9H-fluoren-2-yl]-5-[[3,5-bis[(4-carboxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxyphenyl)methoxy]phenoxy]methyl]benzoic acid (CID 59711211) is 4-[[3-[[3-[7-[3,5-bis[[3-[(4-carboxyphenyl)methoxy]-5-[(4-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]-9H-fluoren-2-yl]-5-[[3,5-bis[(4-carboxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxyphenyl)methoxy]phenoxy]methyl]benzoic acid.

What is the SMILES notation for 4-[[3-[[3-[7-[3,5-bis[[3-[(4-carboxyphenyl)methoxy]-5-[(4-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]-9H-fluoren-2-yl]-5-[[3,5-bis[(4-carboxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxyphenyl)methoxy]phenoxy]methyl]benzoic acid?

The canonical SMILES for 4-[[3-[[3-[7-[3,5-bis[[3-[(4-carboxyphenyl)methoxy]-5-[(4-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]-9H-fluoren-2-yl]-5-[[3,5-bis[(4-carboxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxyphenyl)methoxy]phenoxy]methyl]benzoic acid is O=C(O)c1ccc(COc2cc(COc3cc(OCc4cc(OCc5ccc(O)cc5)cc(OCc5ccc(C(=O)O)cc5)c4)cc(-c4ccc5c(c4)Cc4cc(-c6cc(OCc7cc(OCc8ccc(C(=O)O)cc8)cc(OCc8ccc(C(=O)O)cc8)c7)cc(OCc7cc(OCc8ccc(C(=O)O)cc8)cc(OCc8ccc(C(=O)O)cc8)c7)c6)ccc4-5)c3)cc(OCc3ccc(O)cc3)c2)cc1.

What is the InChIKey of 4-[[3-[[3-[7-[3,5-bis[[3-[(4-carboxyphenyl)methoxy]-5-[(4-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]-9H-fluoren-2-yl]-5-[[3,5-bis[(4-carboxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxyphenyl)methoxy]phenoxy]methyl]benzoic acid?

The InChIKey is BHVZJOBVQOTYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C115H90O26/c116-94-31-13-76(14-32-94)64-136-102-43-80(41-100(54-102)134-62-74-9-25-86(26-10-74)114(126)127)68-140-106-50-91(51-107(57-106)141-69-81-42-101(135-63-75-11-27-87(28-12-75)115(128)129)55-103(44-81)137-65-77-15-33-95(117)34-16-77)89-30-36-109-93(46-89)47-92-45-88(29-35-108(92)109)90-48-104(138-66-78-37-96(130-58-70-1-17-82(18-2-70)110(118)119)52-97(38-78)131-59-71-3-19-83(20-4-71)111(120)121)56-105(49-90)139-67-79-39-98(132-60-72-5-21-84(22-6-72)112(122)123)53-99(40-79)133-61-73-7-23-85(24-8-73)113(124)125/h1-46,48-57,116-117H,47,58-69H2,(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,128,129).

What are the key properties of 4-[[3-[[3-[7-[3,5-bis[[3-[(4-carboxyphenyl)methoxy]-5-[(4-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]-9H-fluoren-2-yl]-5-[[3,5-bis[(4-carboxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxyphenyl)methoxy]phenoxy]methyl]benzoic acid?

4-[[3-[[3-[7-[3,5-bis[[3-[(4-carboxyphenyl)methoxy]-5-[(4-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]-9H-fluoren-2-yl]-5-[[3,5-bis[(4-carboxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxyphenyl)methoxy]phenoxy]methyl]benzoic acid has a molecular weight of 1887.96 g/mol, XLogP of 23.14, 44 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-[[3-[7-[3,5-bis[[3-[(4-carboxyphenyl)methoxy]-5-[(4-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]-9H-fluoren-2-yl]-5-[[3,5-bis[(4-carboxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxyphenyl)methoxy]phenoxy]methyl]benzoic acid is sourced from PubChem (CID 59711211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).