4-[9-[4-[6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol

C56H42O4 — CID 123766123

IUPAC4-[9-[4-[6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol
SMILESOc1ccc(C2(c3ccc(OCC=CC=CCOc4ccc(C5(c6ccc(O)cc6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C56H42O4/c57-43-29-21-39(22-30-43)55(51-17-7-3-13-47(51)48-14-4-8-18-52(48)55)41-25-33-45(34-26-41)59-37-11-1-2-12-38-60-46-35-27-42(28-36-46)56(40-23-31-44(58)32-24-40)53-19-9-5-15-49(53)50-16-6-10-20-54(50)56/h1-36,57-58H,37-38H2
InChIKeyQOPGFBDRWBTSNJ-UHFFFAOYSA-N
MW778.95 g/mol
LogP12.39
Rot. Bonds11

About 4-[9-[4-[6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol

4-[9-[4-[6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol (PubChem CID 123766123) has the molecular formula C56H42O4 and a molecular weight of 778.95 g/mol. Its IUPAC name is 4-[9-[4-[6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol.

Molecular Properties

Compound Name4-[9-[4-[6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol
PubChem CID123766123
Molecular FormulaC56H42O4
Molecular Weight778.95 g/mol
Exact Mass778.31
IUPAC Name4-[9-[4-[6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol
SMILESOc1ccc(C2(c3ccc(OCC=CC=CCOc4ccc(C5(c6ccc(O)cc6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C56H42O4/c57-43-29-21-39(22-30-43)55(51-17-7-3-13-47(51)48-14-4-8-18-52(48)55)41-25-33-45(34-26-41)59-37-11-1-2-12-38-60-46-35-27-42(28-36-46)56(40-23-31-44(58)32-24-40)53-19-9-5-15-49(53)50-16-6-10-20-54(50)56/h1-36,57-58H,37-38H2
InChIKeyQOPGFBDRWBTSNJ-UHFFFAOYSA-N
XLogP12.39
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.95
LogP ≤ 512.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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]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
4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118232233
[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] hypoiodite
CID 144644254
[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 89273761
4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118667876
9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene
CID 18704292
9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene
CID 135250997
9,9-bis[4-(methoxymethoxy)phenyl]fluorene
CID 58090347
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene
CID 68925049
9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081

Frequently Asked Questions

What is the IUPAC name of 4-[9-[4-[6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol?
The IUPAC name of 4-[9-[4-[6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol (CID 123766123) is 4-[9-[4-[6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol.
What is the SMILES notation for 4-[9-[4-[6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol?
The canonical SMILES for 4-[9-[4-[6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol is Oc1ccc(C2(c3ccc(OCC=CC=CCOc4ccc(C5(c6ccc(O)cc6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 4-[9-[4-[6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol?
The InChIKey is QOPGFBDRWBTSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42O4/c57-43-29-21-39(22-30-43)55(51-17-7-3-13-47(51)48-14-4-8-18-52(48)55)41-25-33-45(34-26-41)59-37-11-1-2-12-38-60-46-35-27-42(28-36-46)56(40-23-31-44(58)32-24-40)53-19-9-5-15-49(53)50-16-6-10-20-54(50)56/h1-36,57-58H,37-38H2.
What are the key properties of 4-[9-[4-[6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol?
4-[9-[4-[6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol has a molecular weight of 778.95 g/mol, XLogP of 12.39, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[4-[6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol is sourced from PubChem (CID 123766123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).