4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol

C55H44O4 — CID 118232233

IUPAC4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
SMILESCOc1ccc(C2(c3ccc(OCCCCOc4ccc(C5(c6ccc(O)cc6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C55H44O4/c1-57-43-30-22-39(23-31-43)55(52-18-8-4-14-48(52)49-15-5-9-19-53(49)55)41-26-34-45(35-27-41)59-37-11-10-36-58-44-32-24-40(25-33-44)54(38-20-28-42(56)29-21-38)50-16-6-2-12-46(50)47-13-3-7-17-51(47)54/h2-9,12-35,56H,10-11,36-37H2,1H3
InChIKeyLEJWZGDIVIQOHX-UHFFFAOYSA-N
MW768.95 g/mol
LogP12.36
Rot. Bonds12

About 4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol

4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol (PubChem CID 118232233) has the molecular formula C55H44O4 and a molecular weight of 768.95 g/mol. Its IUPAC name is 4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol.

Molecular Properties

Compound Name4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
PubChem CID118232233
Molecular FormulaC55H44O4
Molecular Weight768.95 g/mol
Exact Mass768.32
IUPAC Name4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
SMILESCOc1ccc(C2(c3ccc(OCCCCOc4ccc(C5(c6ccc(O)cc6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C55H44O4/c1-57-43-30-22-39(23-31-43)55(52-18-8-4-14-48(52)49-15-5-9-19-53(49)55)41-26-34-45(35-27-41)59-37-11-10-36-58-44-32-24-40(25-33-44)54(38-20-28-42(56)29-21-38)50-16-6-2-12-46(50)47-13-3-7-17-51(47)54/h2-9,12-35,56H,10-11,36-37H2,1H3
InChIKeyLEJWZGDIVIQOHX-UHFFFAOYSA-N
XLogP12.36
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.95
LogP ≤ 512.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118667876
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
4-[9-[4-[[6-[[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]methoxy]phenyl]fluoren-9-yl]phenol;4-[9-[4-[[4-[[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]methyl]phenyl]methoxy]phenyl]fluoren-9-yl]phenol;methane
CID 161011304
9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
4-[9-[4-[(2E,4E)-6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol
CID 118229850
4-[9-[4-[6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol
CID 123766123
6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol
CID 146804332
[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] hypoiodite
CID 144644254
9,9-bis[4-(methoxymethoxy)phenyl]fluorene
CID 58090347
5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one
CID 176819827
6-[9-[6-[4-[6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-ol;2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol
CID 161116594

Frequently Asked Questions

What is the IUPAC name of 4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol?
The IUPAC name of 4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol (CID 118232233) is 4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol.
What is the SMILES notation for 4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol?
The canonical SMILES for 4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol is COc1ccc(C2(c3ccc(OCCCCOc4ccc(C5(c6ccc(O)cc6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol?
The InChIKey is LEJWZGDIVIQOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44O4/c1-57-43-30-22-39(23-31-43)55(52-18-8-4-14-48(52)49-15-5-9-19-53(49)55)41-26-34-45(35-27-41)59-37-11-10-36-58-44-32-24-40(25-33-44)54(38-20-28-42(56)29-21-38)50-16-6-2-12-46(50)47-13-3-7-17-51(47)54/h2-9,12-35,56H,10-11,36-37H2,1H3.
What are the key properties of 4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol?
4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol has a molecular weight of 768.95 g/mol, XLogP of 12.36, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol is sourced from PubChem (CID 118232233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).