2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine

C48H31NO — CID 130379057

IUPAC2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C48H31NO/c1-3-13-32(14-4-1)33-23-25-34(26-24-33)37-30-44(35-15-5-2-6-16-35)49-45(31-37)36-27-28-47-43(29-36)48(42-21-11-12-22-46(42)50-47)40-19-9-7-17-38(40)39-18-8-10-20-41(39)48/h1-31H
InChIKeyHXBALKXIWHBGRT-UHFFFAOYSA-N
MW637.78 g/mol
LogP12.22
Rot. Bonds4

About 2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine

2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine (PubChem CID 130379057) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine
PubChem CID130379057
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C48H31NO/c1-3-13-32(14-4-1)33-23-25-34(26-24-33)37-30-44(35-15-5-2-6-16-35)49-45(31-37)36-27-28-47-43(29-36)48(42-21-11-12-22-46(42)50-47)40-19-9-7-17-38(40)39-18-8-10-20-41(39)48/h1-31H
InChIKeyHXBALKXIWHBGRT-UHFFFAOYSA-N
XLogP12.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.78
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine (CID 130379057) is 2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)c3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine?
The InChIKey is HXBALKXIWHBGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-3-13-32(14-4-1)33-23-25-34(26-24-33)37-30-44(35-15-5-2-6-16-35)49-45(31-37)36-27-28-47-43(29-36)48(42-21-11-12-22-46(42)50-47)40-19-9-7-17-38(40)39-18-8-10-20-41(39)48/h1-31H.
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine?
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine has a molecular weight of 637.78 g/mol, XLogP of 12.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine is sourced from PubChem (CID 130379057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).