1,2,3,4,5-pentakis-phenylcyclopenta-2,4-dien-1-ol

C35H26O — CID 635258

IUPAC1,2,3,4,5-pentakis-phenylcyclopenta-2,4-dien-1-ol
SMILESOC1(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C35H26O/c36-35(30-24-14-5-15-25-30)33(28-20-10-3-11-21-28)31(26-16-6-1-7-17-26)32(27-18-8-2-9-19-27)34(35)29-22-12-4-13-23-29/h1-25,36H
InChIKeyDIFNJNDIHZLRLI-UHFFFAOYSA-N
MW462.59 g/mol
LogP8.11
Rot. Bonds5

About 1,2,3,4,5-pentakis-phenylcyclopenta-2,4-dien-1-ol

1,2,3,4,5-pentakis-phenylcyclopenta-2,4-dien-1-ol (PubChem CID 635258) has the molecular formula C35H26O and a molecular weight of 462.59 g/mol. Its IUPAC name is 1,2,3,4,5-pentakis-phenylcyclopenta-2,4-dien-1-ol.

Molecular Properties

Compound Name1,2,3,4,5-pentakis-phenylcyclopenta-2,4-dien-1-ol
PubChem CID635258
Molecular FormulaC35H26O
Molecular Weight462.59 g/mol
Exact Mass462.20
IUPAC Name1,2,3,4,5-pentakis-phenylcyclopenta-2,4-dien-1-ol
SMILESOC1(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C35H26O/c36-35(30-24-14-5-15-25-30)33(28-20-10-3-11-21-28)31(26-16-6-1-7-17-26)32(27-18-8-2-9-19-27)34(35)29-22-12-4-13-23-29/h1-25,36H
InChIKeyDIFNJNDIHZLRLI-UHFFFAOYSA-N
XLogP8.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 58.11
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

Triphenylcarbinol
CID 6457
1-Phenylcyclohexanol
CID 15319
Benzopinacol
CID 94766
1,1-Diphenylethanol
CID 69031
1,1,2-Triphenylethanol
CID 245013
1,4-Butanediol, 1,1,4,4-tetraphenyl-
CID 44541
4,4',4''-Trimethyltrityl alcohol
CID 76733
1,1,4,4-Tetraphenyl-2-butyne-1,4-diol
CID 380898
1,1,3-Triphenyl-2-propyn-1-ol
CID 137058
Alpha,alpha-diphenyl-1-naphthalenemethanol
CID 238209
Cyclohexyl-diphenyl-methanol
CID 275162
1,2-Diphenyl-2-propanol
CID 95356

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentakis-phenylcyclopenta-2,4-dien-1-ol?
The IUPAC name of 1,2,3,4,5-pentakis-phenylcyclopenta-2,4-dien-1-ol (CID 635258) is 1,2,3,4,5-pentakis-phenylcyclopenta-2,4-dien-1-ol.
What is the SMILES notation for 1,2,3,4,5-pentakis-phenylcyclopenta-2,4-dien-1-ol?
The canonical SMILES for 1,2,3,4,5-pentakis-phenylcyclopenta-2,4-dien-1-ol is OC1(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 1,2,3,4,5-pentakis-phenylcyclopenta-2,4-dien-1-ol?
The InChIKey is DIFNJNDIHZLRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26O/c36-35(30-24-14-5-15-25-30)33(28-20-10-3-11-21-28)31(26-16-6-1-7-17-26)32(27-18-8-2-9-19-27)34(35)29-22-12-4-13-23-29/h1-25,36H.
What are the key properties of 1,2,3,4,5-pentakis-phenylcyclopenta-2,4-dien-1-ol?
1,2,3,4,5-pentakis-phenylcyclopenta-2,4-dien-1-ol has a molecular weight of 462.59 g/mol, XLogP of 8.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentakis-phenylcyclopenta-2,4-dien-1-ol is sourced from PubChem (CID 635258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).