2,3,4,5-tetrakis(4-fluorophenyl)cyclopenta-2,4-dien-1-ol

C29H18F4O — CID 102265696

IUPAC2,3,4,5-tetrakis(4-fluorophenyl)cyclopenta-2,4-dien-1-ol
SMILESOC1C(c2ccc(F)cc2)=C(c2ccc(F)cc2)C(c2ccc(F)cc2)=C1c1ccc(F)cc1
InChIInChI=1S/C29H18F4O/c30-21-9-1-17(2-10-21)25-26(18-3-11-22(31)12-4-18)28(20-7-15-24(33)16-8-20)29(34)27(25)19-5-13-23(32)14-6-19/h1-16,29,34H
InChIKeyVZSOHBCZDPDTQD-UHFFFAOYSA-N
MW458.45 g/mol
LogP7.14
Rot. Bonds4

About 2,3,4,5-tetrakis(4-fluorophenyl)cyclopenta-2,4-dien-1-ol

2,3,4,5-tetrakis(4-fluorophenyl)cyclopenta-2,4-dien-1-ol (PubChem CID 102265696) has the molecular formula C29H18F4O and a molecular weight of 458.45 g/mol. Its IUPAC name is 2,3,4,5-tetrakis(4-fluorophenyl)cyclopenta-2,4-dien-1-ol.

Molecular Properties

Compound Name2,3,4,5-tetrakis(4-fluorophenyl)cyclopenta-2,4-dien-1-ol
PubChem CID102265696
Molecular FormulaC29H18F4O
Molecular Weight458.45 g/mol
Exact Mass458.13
IUPAC Name2,3,4,5-tetrakis(4-fluorophenyl)cyclopenta-2,4-dien-1-ol
SMILESOC1C(c2ccc(F)cc2)=C(c2ccc(F)cc2)C(c2ccc(F)cc2)=C1c1ccc(F)cc1
InChIInChI=1S/C29H18F4O/c30-21-9-1-17(2-10-21)25-26(18-3-11-22(31)12-4-18)28(20-7-15-24(33)16-8-20)29(34)27(25)19-5-13-23(32)14-6-19/h1-16,29,34H
InChIKeyVZSOHBCZDPDTQD-UHFFFAOYSA-N
XLogP7.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.45
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
3-(4-fluorophenyl)cyclobut-3-ene-1,2-diol
CID 130142404
1-fluoro-4-(4-fluorophenyl)benzene;formaldehyde
CID 175463820
1,4-difluorobenzene bromide
CID 21301175
1-fluoro-4-[(3R,5S)-2,3,5-tribromocyclopenten-1-yl]benzene
CID 11825495
3,4-bis(4-fluorophenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 634528
5-[4-(4-fluorophenyl)phenyl]-3-hydroxyoxolane-2,4-dione
CID 91118384
(3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol
CID 67294277
1,2-bis(4-fluorophenyl)acenaphthylene
CID 23635200
1-fluoro-4-[2-(4-fluorophenyl)-3-methylidenecyclopenta-1,4-dien-1-yl]benzene
CID 139880103
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
(5S)-4-(3,5-difluorophenyl)-2-(4-fluorophenyl)-5-methyl-3-phenylcyclopent-2-en-1-one
CID 142808739

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrakis(4-fluorophenyl)cyclopenta-2,4-dien-1-ol?
The IUPAC name of 2,3,4,5-tetrakis(4-fluorophenyl)cyclopenta-2,4-dien-1-ol (CID 102265696) is 2,3,4,5-tetrakis(4-fluorophenyl)cyclopenta-2,4-dien-1-ol.
What is the SMILES notation for 2,3,4,5-tetrakis(4-fluorophenyl)cyclopenta-2,4-dien-1-ol?
The canonical SMILES for 2,3,4,5-tetrakis(4-fluorophenyl)cyclopenta-2,4-dien-1-ol is OC1C(c2ccc(F)cc2)=C(c2ccc(F)cc2)C(c2ccc(F)cc2)=C1c1ccc(F)cc1.
What is the InChIKey of 2,3,4,5-tetrakis(4-fluorophenyl)cyclopenta-2,4-dien-1-ol?
The InChIKey is VZSOHBCZDPDTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18F4O/c30-21-9-1-17(2-10-21)25-26(18-3-11-22(31)12-4-18)28(20-7-15-24(33)16-8-20)29(34)27(25)19-5-13-23(32)14-6-19/h1-16,29,34H.
What are the key properties of 2,3,4,5-tetrakis(4-fluorophenyl)cyclopenta-2,4-dien-1-ol?
2,3,4,5-tetrakis(4-fluorophenyl)cyclopenta-2,4-dien-1-ol has a molecular weight of 458.45 g/mol, XLogP of 7.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrakis(4-fluorophenyl)cyclopenta-2,4-dien-1-ol is sourced from PubChem (CID 102265696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).