4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine

C53H32N2O2 — CID 167348999

IUPAC4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine
SMILESc1ccc(-c2ccccc2-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C53H32N2O2/c1-2-15-33(16-3-1)35-17-4-5-19-37(35)46-32-47(40-22-14-21-39-38-20-7-11-26-48(38)57-51(39)40)55-52(54-46)34-29-30-43-41(31-34)36-18-6-8-23-42(36)53(43)44-24-9-12-27-49(44)56-50-28-13-10-25-45(50)53/h1-32H
InChIKeyVYLNMWNIILQPSC-UHFFFAOYSA-N
MW728.85 g/mol
LogP13.51
Rot. Bonds4

About 4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine

4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine (PubChem CID 167348999) has the molecular formula C53H32N2O2 and a molecular weight of 728.85 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine
PubChem CID167348999
Molecular FormulaC53H32N2O2
Molecular Weight728.85 g/mol
Exact Mass728.25
IUPAC Name4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine
SMILESc1ccc(-c2ccccc2-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C53H32N2O2/c1-2-15-33(16-3-1)35-17-4-5-19-37(35)46-32-47(40-22-14-21-39-38-20-7-11-26-48(38)57-51(39)40)55-52(54-46)34-29-30-43-41(31-34)36-18-6-8-23-42(36)53(43)44-24-9-12-27-49(44)56-50-28-13-10-25-45(50)53/h1-32H
InChIKeyVYLNMWNIILQPSC-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-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazine
CID 167349465
2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 167349084
4-dibenzofuran-4-yl-6-(2,4-diphenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 167348949
4-dibenzofuran-4-yl-2-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylpyrimidine
CID 153252602
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 140947298
2-dibenzofuran-2-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 153288111
4-dibenzofuran-4-yl-2-[4-[8-(2-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 163742051
21-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 146615611
4-dibenzofuran-4-yl-2-(9,9-diphenylfluoren-2-yl)-6-(2,4-diphenylphenyl)pyrimidine
CID 146669920
2-dibenzofuran-2-yl-4-dibenzofuran-4-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-1,3,5-triazine
CID 153288086
16-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]
CID 146615744
4-phenyl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine
CID 137388581

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine?
The IUPAC name of 4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine (CID 167348999) is 4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine.
What is the SMILES notation for 4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine?
The canonical SMILES for 4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine is c1ccc(-c2ccccc2-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine?
The InChIKey is VYLNMWNIILQPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O2/c1-2-15-33(16-3-1)35-17-4-5-19-37(35)46-32-47(40-22-14-21-39-38-20-7-11-26-48(38)57-51(39)40)55-52(54-46)34-29-30-43-41(31-34)36-18-6-8-23-42(36)53(43)44-24-9-12-27-49(44)56-50-28-13-10-25-45(50)53/h1-32H.
What are the key properties of 4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine?
4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine 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 4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine is sourced from PubChem (CID 167348999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).