2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine

C53H32N2O2 — CID 170928881

IUPAC2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)cc4)c4oc5ccccc5c4n3)cc2)cc1
InChIInChI=1S/C53H32N2O2/c1-2-13-33(14-3-1)34-25-31-37(32-26-34)52-54-49(51-50(55-52)40-16-5-9-22-45(40)57-51)36-29-27-35(28-30-36)38-17-12-21-44-48(38)39-15-4-6-18-41(39)53(44)42-19-7-10-23-46(42)56-47-24-11-8-20-43(47)53/h1-32H
InChIKeyGSERFFFLXHMLCJ-UHFFFAOYSA-N
MW728.85 g/mol
LogP13.51
Rot. Bonds4

About 2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine

2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 170928881) has the molecular formula C53H32N2O2 and a molecular weight of 728.85 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID170928881
Molecular FormulaC53H32N2O2
Molecular Weight728.85 g/mol
Exact Mass728.25
IUPAC Name2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)cc4)c4oc5ccccc5c4n3)cc2)cc1
InChIInChI=1S/C53H32N2O2/c1-2-13-33(14-3-1)34-25-31-37(32-26-34)52-54-49(51-50(55-52)40-16-5-9-22-45(40)57-51)36-29-27-35(28-30-36)38-17-12-21-44-48(38)39-15-4-6-18-41(39)53(44)42-19-7-10-23-46(42)56-47-24-11-8-20-43(47)53/h1-32H
InChIKeyGSERFFFLXHMLCJ-UHFFFAOYSA-N
XLogP13.51
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.85
LogP ≤ 513.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 146920212
2-phenyl-4-(8-spiro[fluorene-9,9'-xanthene]-4-yldibenzothiophen-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 170928761
2-phenyl-4-(6-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 170928812
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326888
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 162059090
2,4-diphenyl-6-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine;2-[8-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 158374323
2-dibenzofuran-4-yl-4-(7-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-4-yl)-6-phenyl-1,3,5-triazine
CID 154597028
2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine
CID 154597002
2-phenyl-4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489550
4-phenyl-2-[4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489670
2-phenyl-4-[4-[4-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489508
4-(3,5-diphenylphenyl)-2-spiro[fluorene-9,20'-nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11,13,15,17,22,24,26,28,30,32,34,36-octadecaene]-4-yl-[1]benzofuro[3,2-d]pyrimidine
CID 155186218

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine (CID 170928881) is 2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)cc4)c4oc5ccccc5c4n3)cc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is GSERFFFLXHMLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O2/c1-2-13-33(14-3-1)34-25-31-37(32-26-34)52-54-49(51-50(55-52)40-16-5-9-22-45(40)57-51)36-29-27-35(28-30-36)38-17-12-21-44-48(38)39-15-4-6-18-41(39)53(44)42-19-7-10-23-46(42)56-47-24-11-8-20-43(47)53/h1-32H.
What are the key properties of 2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 728.85 g/mol, XLogP of 13.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 170928881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).