2-(2'-chlorospiro[benzo[b]fluorene-11,9'-fluorene]-4-yl)pyridine

C34H20ClN — CID 134216092

IUPAC2-(2'-chlorospiro[benzo[b]fluorene-11,9'-fluorene]-4-yl)pyridine
SMILESClc1ccc2c(c1)C1(c3ccccc3-2)c2cc3ccccc3cc2-c2c(-c3ccccn3)cccc21
InChIInChI=1S/C34H20ClN/c35-23-15-16-25-24-10-3-4-12-28(24)34(31(25)20-23)29-13-7-11-26(32-14-5-6-17-36-32)33(29)27-18-21-8-1-2-9-22(21)19-30(27)34/h1-20H
InChIKeyHICJXKIDMAELSJ-UHFFFAOYSA-N
MW477.99 g/mol
LogP8.90
Rot. Bonds1

About 2-(2'-chlorospiro[benzo[b]fluorene-11,9'-fluorene]-4-yl)pyridine

2-(2'-chlorospiro[benzo[b]fluorene-11,9'-fluorene]-4-yl)pyridine (PubChem CID 134216092) has the molecular formula C34H20ClN and a molecular weight of 477.99 g/mol. Its IUPAC name is 2-(2'-chlorospiro[benzo[b]fluorene-11,9'-fluorene]-4-yl)pyridine.

Molecular Properties

Compound Name2-(2'-chlorospiro[benzo[b]fluorene-11,9'-fluorene]-4-yl)pyridine
PubChem CID134216092
Molecular FormulaC34H20ClN
Molecular Weight477.99 g/mol
Exact Mass477.13
IUPAC Name2-(2'-chlorospiro[benzo[b]fluorene-11,9'-fluorene]-4-yl)pyridine
SMILESClc1ccc2c(c1)C1(c3ccccc3-2)c2cc3ccccc3cc2-c2c(-c3ccccn3)cccc21
InChIInChI=1S/C34H20ClN/c35-23-15-16-25-24-10-3-4-12-28(24)34(31(25)20-23)29-13-7-11-26(32-14-5-6-17-36-32)33(29)27-18-21-8-1-2-9-22(21)19-30(27)34/h1-20H
InChIKeyHICJXKIDMAELSJ-UHFFFAOYSA-N
XLogP8.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.99
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2'-chlorospiro[benzo[b]fluorene-11,9'-fluorene]-4-yl)pyridine?
The IUPAC name of 2-(2'-chlorospiro[benzo[b]fluorene-11,9'-fluorene]-4-yl)pyridine (CID 134216092) is 2-(2'-chlorospiro[benzo[b]fluorene-11,9'-fluorene]-4-yl)pyridine.
What is the SMILES notation for 2-(2'-chlorospiro[benzo[b]fluorene-11,9'-fluorene]-4-yl)pyridine?
The canonical SMILES for 2-(2'-chlorospiro[benzo[b]fluorene-11,9'-fluorene]-4-yl)pyridine is Clc1ccc2c(c1)C1(c3ccccc3-2)c2cc3ccccc3cc2-c2c(-c3ccccn3)cccc21.
What is the InChIKey of 2-(2'-chlorospiro[benzo[b]fluorene-11,9'-fluorene]-4-yl)pyridine?
The InChIKey is HICJXKIDMAELSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20ClN/c35-23-15-16-25-24-10-3-4-12-28(24)34(31(25)20-23)29-13-7-11-26(32-14-5-6-17-36-32)33(29)27-18-21-8-1-2-9-22(21)19-30(27)34/h1-20H.
What are the key properties of 2-(2'-chlorospiro[benzo[b]fluorene-11,9'-fluorene]-4-yl)pyridine?
2-(2'-chlorospiro[benzo[b]fluorene-11,9'-fluorene]-4-yl)pyridine has a molecular weight of 477.99 g/mol, XLogP of 8.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2'-chlorospiro[benzo[b]fluorene-11,9'-fluorene]-4-yl)pyridine is sourced from PubChem (CID 134216092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).