2-phenyl-4-(6-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine

C57H32N2O3 — CID 170928812

IUPAC2-phenyl-4-(6-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4oc5c(-c6cccc7c6-c6cc8ccccc8cc6C76c7ccccc7Oc7ccccc76)cccc5c4c3)c3oc4ccccc4c3n2)cc1
InChIInChI=1S/C57H32N2O3/c1-2-14-33(15-3-1)56-58-52(55-53(59-56)40-18-6-9-25-47(40)62-55)36-28-29-48-41(31-36)39-21-12-20-38(54(39)61-48)37-19-13-24-45-51(37)42-30-34-16-4-5-17-35(34)32-46(42)57(45)43-22-7-10-26-49(43)60-50-27-11-8-23-44(50)57/h1-32H
InChIKeyUDPMDCHYIHVPPW-UHFFFAOYSA-N
MW792.89 g/mol
LogP14.90
Rot. Bonds3

About 2-phenyl-4-(6-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine

2-phenyl-4-(6-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 170928812) has the molecular formula C57H32N2O3 and a molecular weight of 792.89 g/mol. Its IUPAC name is 2-phenyl-4-(6-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(6-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID170928812
Molecular FormulaC57H32N2O3
Molecular Weight792.89 g/mol
Exact Mass792.24
IUPAC Name2-phenyl-4-(6-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4oc5c(-c6cccc7c6-c6cc8ccccc8cc6C76c7ccccc7Oc7ccccc76)cccc5c4c3)c3oc4ccccc4c3n2)cc1
InChIInChI=1S/C57H32N2O3/c1-2-14-33(15-3-1)56-58-52(55-53(59-56)40-18-6-9-25-47(40)62-55)36-28-29-48-41(31-36)39-21-12-20-38(54(39)61-48)37-19-13-24-45-51(37)42-30-34-16-4-5-17-35(34)32-46(42)57(45)43-22-7-10-26-49(43)60-50-27-11-8-23-44(50)57/h1-32H
InChIKeyUDPMDCHYIHVPPW-UHFFFAOYSA-N
XLogP14.90
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.89
LogP ≤ 514.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 170928881
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-dibenzofuran-4-yl-4-(7-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-4-yl)-6-phenyl-1,3,5-triazine
CID 154597028
2-(4-phenylphenyl)-4-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 167126671
2-(3-phenylphenyl)-4-(6-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yldibenzofuran-4-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 167126772
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 155049988
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
2,4-diphenyl-8-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 134399102
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 140947298
2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978721
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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(6-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-phenyl-4-(6-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 170928812) is 2-phenyl-4-(6-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-phenyl-4-(6-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-phenyl-4-(6-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccc4oc5c(-c6cccc7c6-c6cc8ccccc8cc6C76c7ccccc7Oc7ccccc76)cccc5c4c3)c3oc4ccccc4c3n2)cc1.
What is the InChIKey of 2-phenyl-4-(6-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is UDPMDCHYIHVPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H32N2O3/c1-2-14-33(15-3-1)56-58-52(55-53(59-56)40-18-6-9-25-47(40)62-55)36-28-29-48-41(31-36)39-21-12-20-38(54(39)61-48)37-19-13-24-45-51(37)42-30-34-16-4-5-17-35(34)32-46(42)57(45)43-22-7-10-26-49(43)60-50-27-11-8-23-44(50)57/h1-32H.
What are the key properties of 2-phenyl-4-(6-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
2-phenyl-4-(6-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 792.89 g/mol, XLogP of 14.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(6-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 170928812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).