[3-(dipyridin-2-ylmethylidene)cyclopenta-1,4-dien-1-yl]-dipyridin-2-ylmethanol

C27H20N4O — CID 3052765

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IUPAC[3-(dipyridin-2-ylmethylidene)cyclopenta-1,4-dien-1-yl]-dipyridin-2-ylmethanol
SMILESOC(C1=CC(=C(c2ccccn2)c2ccccn2)C=C1)(c1ccccn1)c1ccccn1
InChIInChI=1S/C27H20N4O/c32-27(24-11-3-7-17-30-24,25-12-4-8-18-31-25)21-14-13-20(19-21)26(22-9-1-5-15-28-22)23-10-2-6-16-29-23/h1-19,32H
InChIKeyNCZXKYCNHGRFHE-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.50
Rot. Bonds5

About [3-(dipyridin-2-ylmethylidene)cyclopenta-1,4-dien-1-yl]-dipyridin-2-ylmethanol

[3-(dipyridin-2-ylmethylidene)cyclopenta-1,4-dien-1-yl]-dipyridin-2-ylmethanol (PubChem CID 3052765) has the molecular formula C27H20N4O and a molecular weight of 416.48 g/mol. Its IUPAC name is [3-(dipyridin-2-ylmethylidene)cyclopenta-1,4-dien-1-yl]-dipyridin-2-ylmethanol.

Molecular Properties

Compound Name[3-(dipyridin-2-ylmethylidene)cyclopenta-1,4-dien-1-yl]-dipyridin-2-ylmethanol
PubChem CID3052765
Molecular FormulaC27H20N4O
Molecular Weight416.48 g/mol
Exact Mass416.16
IUPAC Name[3-(dipyridin-2-ylmethylidene)cyclopenta-1,4-dien-1-yl]-dipyridin-2-ylmethanol
SMILESOC(C1=CC(=C(c2ccccn2)c2ccccn2)C=C1)(c1ccccn1)c1ccccn1
InChIInChI=1S/C27H20N4O/c32-27(24-11-3-7-17-30-24,25-12-4-8-18-31-25)21-14-13-20(19-21)26(22-9-1-5-15-28-22)23-10-2-6-16-29-23/h1-19,32H
InChIKeyNCZXKYCNHGRFHE-UHFFFAOYSA-N
XLogP4.50
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pirmenol
CID 65502
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
1-Benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
CID 10427620
2-Morpholin-4-yl-1-phenyl-1-pyridin-2-ylethanol
CID 5303332
3-Quinuclidinol, 3-(2-pyridyl)-
CID 208598
Pirmenol Hydrochloride
CID 65501
Tripyridin-2-ylmethanol
CID 4400709
3-(4-Pyridin-2-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol
CID 9838609
5-(4-Hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile
CID 10525695
2-Phenyl-2-(piperidin-1-yl)-1,1-di(pyridin-3-yl)ethanol
CID 11595633
3-(4-Pyridin-3-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol
CID 19425757
(+-)-cis-2,6-Dimethyl-alpha-phenyl-alpha-2-pyridyl-1-piperidinebutanol monohydrochloride
CID 76962233

Frequently Asked Questions

What is the IUPAC name of [3-(dipyridin-2-ylmethylidene)cyclopenta-1,4-dien-1-yl]-dipyridin-2-ylmethanol?
The IUPAC name of [3-(dipyridin-2-ylmethylidene)cyclopenta-1,4-dien-1-yl]-dipyridin-2-ylmethanol (CID 3052765) is [3-(dipyridin-2-ylmethylidene)cyclopenta-1,4-dien-1-yl]-dipyridin-2-ylmethanol.
What is the SMILES notation for [3-(dipyridin-2-ylmethylidene)cyclopenta-1,4-dien-1-yl]-dipyridin-2-ylmethanol?
The canonical SMILES for [3-(dipyridin-2-ylmethylidene)cyclopenta-1,4-dien-1-yl]-dipyridin-2-ylmethanol is OC(C1=CC(=C(c2ccccn2)c2ccccn2)C=C1)(c1ccccn1)c1ccccn1.
What is the InChIKey of [3-(dipyridin-2-ylmethylidene)cyclopenta-1,4-dien-1-yl]-dipyridin-2-ylmethanol?
The InChIKey is NCZXKYCNHGRFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O/c32-27(24-11-3-7-17-30-24,25-12-4-8-18-31-25)21-14-13-20(19-21)26(22-9-1-5-15-28-22)23-10-2-6-16-29-23/h1-19,32H.
What are the key properties of [3-(dipyridin-2-ylmethylidene)cyclopenta-1,4-dien-1-yl]-dipyridin-2-ylmethanol?
[3-(dipyridin-2-ylmethylidene)cyclopenta-1,4-dien-1-yl]-dipyridin-2-ylmethanol has a molecular weight of 416.48 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dipyridin-2-ylmethylidene)cyclopenta-1,4-dien-1-yl]-dipyridin-2-ylmethanol is sourced from PubChem (CID 3052765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).