2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine

C40H27N3O — CID 155443428

IUPAC2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
SMILESC1=CC2c3ccccc3C3(c4ccccc4Oc4ccc(-c5cc(-c6ccccn6)nc(-c6ccccc6)n5)cc43)C2C=C1
InChIInChI=1S/C40H27N3O/c1-2-12-26(13-3-1)39-42-35(25-36(43-39)34-19-10-11-23-41-34)27-21-22-38-33(24-27)40(32-18-8-9-20-37(32)44-38)30-16-6-4-14-28(30)29-15-5-7-17-31(29)40/h1-25,28,30H
InChIKeyNFYNXGVHEMHXQQ-UHFFFAOYSA-N
MW565.68 g/mol
LogP9.15
Rot. Bonds3

About 2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine

2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine (PubChem CID 155443428) has the molecular formula C40H27N3O and a molecular weight of 565.68 g/mol. Its IUPAC name is 2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine.

Molecular Properties

Compound Name2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
PubChem CID155443428
Molecular FormulaC40H27N3O
Molecular Weight565.68 g/mol
Exact Mass565.22
IUPAC Name2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
SMILESC1=CC2c3ccccc3C3(c4ccccc4Oc4ccc(-c5cc(-c6ccccn6)nc(-c6ccccc6)n5)cc43)C2C=C1
InChIInChI=1S/C40H27N3O/c1-2-12-26(13-3-1)39-42-35(25-36(43-39)34-19-10-11-23-41-34)27-21-22-38-33(24-27)40(32-18-8-9-20-37(32)44-38)30-16-6-4-14-28(30)29-15-5-7-17-31(29)40/h1-25,28,30H
InChIKeyNFYNXGVHEMHXQQ-UHFFFAOYSA-N
XLogP9.15
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.68
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 155442764
2-phenanthren-2-yl-4-phenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 155442762
4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 155442583
(Z)-1-phenyl-4-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)but-2-ene-1,4-diimine
CID 155442732
4-(8'a-methylspiro[4a,9a-dihydrofluorene-9,9'-8H-xanthene]-2'-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 130379050
4-phenanthren-2-yl-6-phenyl-2-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155442773
2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine
CID 123333479
4-phenanthren-2-yl-6-phenyl-2-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155443455
4-[6'-(4,6-diphenylpyrimidin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-yl]naphthalene-1-carbonitrile
CID 163748208
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 155443037
2-phenyl-4-(2-phenylphenyl)-6-[4-[4-[3-[2-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine
CID 155443124
4,6-diphenyl-2-(5-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)pyrimidine
CID 155442435

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine?
The IUPAC name of 2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine (CID 155443428) is 2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine.
What is the SMILES notation for 2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine?
The canonical SMILES for 2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine is C1=CC2c3ccccc3C3(c4ccccc4Oc4ccc(-c5cc(-c6ccccn6)nc(-c6ccccc6)n5)cc43)C2C=C1.
What is the InChIKey of 2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine?
The InChIKey is NFYNXGVHEMHXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3O/c1-2-12-26(13-3-1)39-42-35(25-36(43-39)34-19-10-11-23-41-34)27-21-22-38-33(24-27)40(32-18-8-9-20-37(32)44-38)30-16-6-4-14-28(30)29-15-5-7-17-31(29)40/h1-25,28,30H.
What are the key properties of 2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine?
2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine has a molecular weight of 565.68 g/mol, XLogP of 9.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine is sourced from PubChem (CID 155443428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).