9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenoxy]butoxy]phenyl]fluoren-9-ol

C42H34O4 — CID 118667902

IUPAC9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenoxy]butoxy]phenyl]fluoren-9-ol
SMILESOC1(c2ccc(OCCCCOc3ccc(C4(O)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C42H34O4/c43-41(37-15-5-1-11-33(37)34-12-2-6-16-38(34)41)29-19-23-31(24-20-29)45-27-9-10-28-46-32-25-21-30(22-26-32)42(44)39-17-7-3-13-35(39)36-14-4-8-18-40(36)42/h1-8,11-26,43-44H,9-10,27-28H2
InChIKeyLNARYWFEFORNAS-UHFFFAOYSA-N
MW602.73 g/mol
LogP8.45
Rot. Bonds9

About 9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenoxy]butoxy]phenyl]fluoren-9-ol

9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenoxy]butoxy]phenyl]fluoren-9-ol (PubChem CID 118667902) has the molecular formula C42H34O4 and a molecular weight of 602.73 g/mol. Its IUPAC name is 9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenoxy]butoxy]phenyl]fluoren-9-ol.

Molecular Properties

Compound Name9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenoxy]butoxy]phenyl]fluoren-9-ol
PubChem CID118667902
Molecular FormulaC42H34O4
Molecular Weight602.73 g/mol
Exact Mass602.25
IUPAC Name9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenoxy]butoxy]phenyl]fluoren-9-ol
SMILESOC1(c2ccc(OCCCCOc3ccc(C4(O)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C42H34O4/c43-41(37-15-5-1-11-33(37)34-12-2-6-16-38(34)41)29-19-23-31(24-20-29)45-27-9-10-28-46-32-25-21-30(22-26-32)42(44)39-17-7-3-13-35(39)36-14-4-8-18-40(36)42/h1-8,11-26,43-44H,9-10,27-28H2
InChIKeyLNARYWFEFORNAS-UHFFFAOYSA-N
XLogP8.45
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.73
LogP ≤ 58.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene
CID 121288776
4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118232233
14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol
CID 13358152
ethane;9-(4-methylphenyl)fluoren-9-ol
CID 91233628
9-[4-[4-(9-hydroxyfluoren-9-yl)-N-[4-(9-hydroxyfluoren-9-yl)phenyl]anilino]phenyl]fluoren-9-ol
CID 146504428
2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 155473515
9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
9-[4-octoxy-2-(3-octoxyphenyl)phenyl]fluoren-9-ol
CID 101242540
5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one
CID 176819827
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite
CID 163468079
9-[4-[4-(9-hydroxyfluoren-9-yl)phenoxy]phenyl]-2-[9-hydroxy-9-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-3-yl]fluoren-9-ol
CID 146637137
6-[4-[9-[4-(6-but-2-enoyloxyhexoxy)phenyl]fluoren-9-yl]phenoxy]hexyl but-2-enoate
CID 168867072

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenoxy]butoxy]phenyl]fluoren-9-ol?
The IUPAC name of 9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenoxy]butoxy]phenyl]fluoren-9-ol (CID 118667902) is 9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenoxy]butoxy]phenyl]fluoren-9-ol.
What is the SMILES notation for 9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenoxy]butoxy]phenyl]fluoren-9-ol?
The canonical SMILES for 9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenoxy]butoxy]phenyl]fluoren-9-ol is OC1(c2ccc(OCCCCOc3ccc(C4(O)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenoxy]butoxy]phenyl]fluoren-9-ol?
The InChIKey is LNARYWFEFORNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34O4/c43-41(37-15-5-1-11-33(37)34-12-2-6-16-38(34)41)29-19-23-31(24-20-29)45-27-9-10-28-46-32-25-21-30(22-26-32)42(44)39-17-7-3-13-35(39)36-14-4-8-18-40(36)42/h1-8,11-26,43-44H,9-10,27-28H2.
What are the key properties of 9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenoxy]butoxy]phenyl]fluoren-9-ol?
9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenoxy]butoxy]phenyl]fluoren-9-ol has a molecular weight of 602.73 g/mol, XLogP of 8.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenoxy]butoxy]phenyl]fluoren-9-ol is sourced from PubChem (CID 118667902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).