2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine

C42H27NO — CID 130379576

IUPAC2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C42H27NO/c1-3-13-28(14-4-1)31-26-38(29-15-5-2-6-16-29)43-39(27-31)30-23-24-41-37(25-30)42(36-21-11-12-22-40(36)44-41)34-19-9-7-17-32(34)33-18-8-10-20-35(33)42/h1-27H
InChIKeyWWSQUWQWUKVGFR-UHFFFAOYSA-N
MW561.68 g/mol
LogP10.55
Rot. Bonds3

About 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine

2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine (PubChem CID 130379576) has the molecular formula C42H27NO and a molecular weight of 561.68 g/mol. Its IUPAC name is 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine.

Molecular Properties

Compound Name2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine
PubChem CID130379576
Molecular FormulaC42H27NO
Molecular Weight561.68 g/mol
Exact Mass561.21
IUPAC Name2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C42H27NO/c1-3-13-28(14-4-1)31-26-38(29-15-5-2-6-16-29)43-39(27-31)30-23-24-41-37(25-30)42(36-21-11-12-22-40(36)44-41)34-19-9-7-17-32(34)33-18-8-10-20-35(33)42/h1-27H
InChIKeyWWSQUWQWUKVGFR-UHFFFAOYSA-N
XLogP10.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.68
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine?
The IUPAC name of 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine (CID 130379576) is 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine.
What is the SMILES notation for 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine?
The canonical SMILES for 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine?
The InChIKey is WWSQUWQWUKVGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO/c1-3-13-28(14-4-1)31-26-38(29-15-5-2-6-16-29)43-39(27-31)30-23-24-41-37(25-30)42(36-21-11-12-22-40(36)44-41)34-19-9-7-17-32(34)33-18-8-10-20-35(33)42/h1-27H.
What are the key properties of 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine?
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine has a molecular weight of 561.68 g/mol, XLogP of 10.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine is sourced from PubChem (CID 130379576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).