9-[3-[3-[3-(9-hydroxyfluoren-9-yl)prop-2-ynoxy]phenoxy]prop-1-ynyl]fluoren-9-ol

C38H26O4 — CID 139556397

IUPAC9-[3-[3-[3-(9-hydroxyfluoren-9-yl)prop-2-ynoxy]phenoxy]prop-1-ynyl]fluoren-9-ol
SMILESOC1(C#CCOc2cccc(OCC#CC3(O)c4ccccc4-c4ccccc43)c2)c2ccccc2-c2ccccc21
InChIInChI=1S/C38H26O4/c39-37(33-18-5-1-14-29(33)30-15-2-6-19-34(30)37)22-10-24-41-27-12-9-13-28(26-27)42-25-11-23-38(40)35-20-7-3-16-31(35)32-17-4-8-21-36(32)38/h1-9,12-21,26,39-40H,24-25H2
InChIKeyAVVSIISPSVTRRS-UHFFFAOYSA-N
MW546.62 g/mol
LogP6.28
Rot. Bonds4

About 9-[3-[3-[3-(9-hydroxyfluoren-9-yl)prop-2-ynoxy]phenoxy]prop-1-ynyl]fluoren-9-ol

9-[3-[3-[3-(9-hydroxyfluoren-9-yl)prop-2-ynoxy]phenoxy]prop-1-ynyl]fluoren-9-ol (PubChem CID 139556397) has the molecular formula C38H26O4 and a molecular weight of 546.62 g/mol. Its IUPAC name is 9-[3-[3-[3-(9-hydroxyfluoren-9-yl)prop-2-ynoxy]phenoxy]prop-1-ynyl]fluoren-9-ol.

Molecular Properties

Compound Name9-[3-[3-[3-(9-hydroxyfluoren-9-yl)prop-2-ynoxy]phenoxy]prop-1-ynyl]fluoren-9-ol
PubChem CID139556397
Molecular FormulaC38H26O4
Molecular Weight546.62 g/mol
Exact Mass546.18
IUPAC Name9-[3-[3-[3-(9-hydroxyfluoren-9-yl)prop-2-ynoxy]phenoxy]prop-1-ynyl]fluoren-9-ol
SMILESOC1(C#CCOc2cccc(OCC#CC3(O)c4ccccc4-c4ccccc43)c2)c2ccccc2-c2ccccc21
InChIInChI=1S/C38H26O4/c39-37(33-18-5-1-14-29(33)30-15-2-6-19-34(30)37)22-10-24-41-27-12-9-13-28(26-27)42-25-11-23-38(40)35-20-7-3-16-31(35)32-17-4-8-21-36(32)38/h1-9,12-21,26,39-40H,24-25H2
InChIKeyAVVSIISPSVTRRS-UHFFFAOYSA-N
XLogP6.28
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.62
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[3-[3-[3-(9-hydroxyfluoren-9-yl)prop-2-ynoxy]phenoxy]prop-1-ynyl]fluoren-9-ol with MolForge

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Related Compounds

9-(2-bromoethynyl)fluoren-9-ol
CID 10968066
1,5-bis(9-hydroxyfluoren-9-yl)penta-1,4-diyn-3-one
CID 10906271
11-(2-aminoethynyl)benzo[b]fluoren-11-ol
CID 167138421
9-[2-[10-[2-(9-hydroxyfluoren-9-yl)ethynyl]anthracen-9-yl]ethynyl]fluoren-9-ol
CID 5246971
9-[3-[[6-[3-(9-hydroxyxanthen-9-yl)prop-2-ynoxymethyl]naphthalen-2-yl]methoxy]prop-1-ynyl]xanthen-9-ol
CID 139556417
1-but-2-ynoxy-3-methoxybenzene
CID 12759697
[3-[4-[9-[4-[3-(aminomethoxy)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenoxy]methanamine
CID 139970952
4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118667876
8-hydroxy-8-prop-1-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 14813467
9-[4-octoxy-2-(3-octoxyphenyl)phenyl]fluoren-9-ol
CID 101242540
1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene
CID 165353497
9-(3-methoxyprop-1-ynyl)-9-phenylfluorene
CID 153435964

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-[3-(9-hydroxyfluoren-9-yl)prop-2-ynoxy]phenoxy]prop-1-ynyl]fluoren-9-ol?
The IUPAC name of 9-[3-[3-[3-(9-hydroxyfluoren-9-yl)prop-2-ynoxy]phenoxy]prop-1-ynyl]fluoren-9-ol (CID 139556397) is 9-[3-[3-[3-(9-hydroxyfluoren-9-yl)prop-2-ynoxy]phenoxy]prop-1-ynyl]fluoren-9-ol.
What is the SMILES notation for 9-[3-[3-[3-(9-hydroxyfluoren-9-yl)prop-2-ynoxy]phenoxy]prop-1-ynyl]fluoren-9-ol?
The canonical SMILES for 9-[3-[3-[3-(9-hydroxyfluoren-9-yl)prop-2-ynoxy]phenoxy]prop-1-ynyl]fluoren-9-ol is OC1(C#CCOc2cccc(OCC#CC3(O)c4ccccc4-c4ccccc43)c2)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[3-[3-[3-(9-hydroxyfluoren-9-yl)prop-2-ynoxy]phenoxy]prop-1-ynyl]fluoren-9-ol?
The InChIKey is AVVSIISPSVTRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26O4/c39-37(33-18-5-1-14-29(33)30-15-2-6-19-34(30)37)22-10-24-41-27-12-9-13-28(26-27)42-25-11-23-38(40)35-20-7-3-16-31(35)32-17-4-8-21-36(32)38/h1-9,12-21,26,39-40H,24-25H2.
What are the key properties of 9-[3-[3-[3-(9-hydroxyfluoren-9-yl)prop-2-ynoxy]phenoxy]prop-1-ynyl]fluoren-9-ol?
9-[3-[3-[3-(9-hydroxyfluoren-9-yl)prop-2-ynoxy]phenoxy]prop-1-ynyl]fluoren-9-ol has a molecular weight of 546.62 g/mol, XLogP of 6.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-[3-(9-hydroxyfluoren-9-yl)prop-2-ynoxy]phenoxy]prop-1-ynyl]fluoren-9-ol is sourced from PubChem (CID 139556397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).