5-(2'-pyrimidin-4-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-8-ol

C38H23N3O — CID 71036769

IUPAC5-(2'-pyrimidin-4-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-8-ol
SMILESOc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5ccncn5)cc42)c2ccccc2-3)c2cccnc12
InChIInChI=1S/C38H23N3O/c42-36-16-15-25(30-8-5-18-40-37(30)36)23-11-13-28-26-6-1-3-9-31(26)38(33(28)20-23)32-10-4-2-7-27(32)29-14-12-24(21-34(29)38)35-17-19-39-22-41-35/h1-22,42H
InChIKeyPIYQRMIZIFOXKM-UHFFFAOYSA-N
MW537.62 g/mol
LogP8.41
Rot. Bonds2

About 5-(2'-pyrimidin-4-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-8-ol

5-(2'-pyrimidin-4-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-8-ol (PubChem CID 71036769) has the molecular formula C38H23N3O and a molecular weight of 537.62 g/mol. Its IUPAC name is 5-(2'-pyrimidin-4-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-8-ol.

Molecular Properties

Compound Name5-(2'-pyrimidin-4-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-8-ol
PubChem CID71036769
Molecular FormulaC38H23N3O
Molecular Weight537.62 g/mol
Exact Mass537.18
IUPAC Name5-(2'-pyrimidin-4-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-8-ol
SMILESOc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5ccncn5)cc42)c2ccccc2-3)c2cccnc12
InChIInChI=1S/C38H23N3O/c42-36-16-15-25(30-8-5-18-40-37(30)36)23-11-13-28-26-6-1-3-9-31(26)38(33(28)20-23)32-10-4-2-7-27(32)29-14-12-24(21-34(29)38)35-17-19-39-22-41-35/h1-22,42H
InChIKeyPIYQRMIZIFOXKM-UHFFFAOYSA-N
XLogP8.41
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.62
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2'-pyrimidin-4-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2'-pyrimidin-4-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-8-ol?
The IUPAC name of 5-(2'-pyrimidin-4-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-8-ol (CID 71036769) is 5-(2'-pyrimidin-4-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-8-ol.
What is the SMILES notation for 5-(2'-pyrimidin-4-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-8-ol?
The canonical SMILES for 5-(2'-pyrimidin-4-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-8-ol is Oc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5ccncn5)cc42)c2ccccc2-3)c2cccnc12.
What is the InChIKey of 5-(2'-pyrimidin-4-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-8-ol?
The InChIKey is PIYQRMIZIFOXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3O/c42-36-16-15-25(30-8-5-18-40-37(30)36)23-11-13-28-26-6-1-3-9-31(26)38(33(28)20-23)32-10-4-2-7-27(32)29-14-12-24(21-34(29)38)35-17-19-39-22-41-35/h1-22,42H.
What are the key properties of 5-(2'-pyrimidin-4-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-8-ol?
5-(2'-pyrimidin-4-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-8-ol has a molecular weight of 537.62 g/mol, XLogP of 8.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2'-pyrimidin-4-yl-9,9'-spirobi[fluorene]-2-yl)quinolin-8-ol is sourced from PubChem (CID 71036769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).