4-dibenzofuran-3-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[3-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]phenyl]pyrimidine;4-phenanthren-2-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine

C161H106N6O4 — CID 159628481

IUPAC4-dibenzofuran-3-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[3-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]phenyl]pyrimidine;4-phenanthren-2-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccccc3-c3ccc(C4(c5ccccc5)c5ccccc5Oc5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3ccccc3-c3ccc(C4(c5ccccc5)c5ccccc5Oc5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc(C6(c7ccccc7)c7ccccc7Oc7ccccc76)cc5)c4)c3)n2)cc1
InChIInChI=1S/C55H36N2O.C53H34N2O2.C53H36N2O/c1-3-16-39(17-4-1)50-36-51(41-31-34-46-40(35-41)28-27-37-15-7-8-20-44(37)46)57-54(56-50)47-22-10-9-21-45(47)38-29-32-43(33-30-38)55(42-18-5-2-6-19-42)48-23-11-13-25-52(48)58-53-26-14-12-24-49(53)55;1-3-15-36(16-4-1)46-34-47(37-29-32-42-41-20-9-12-24-48(41)56-51(42)33-37)55-52(54-46)43-21-8-7-19-40(43)35-27-30-39(31-28-35)53(38-17-5-2-6-18-38)44-22-10-13-25-49(44)57-50-26-14-11-23-45(50)53;1-4-16-38(17-5-1)48-36-49(39-18-6-2-7-19-39)55-52(54-48)43-23-15-22-42(35-43)41-21-14-20-40(34-41)37-30-32-45(33-31-37)53(44-24-8-3-9-25-44)46-26-10-12-28-50(46)56-51-29-13-11-27-47(51)53/h1-36H;1-34H;1-36H
InChIKeyMOUQPWRDVDFKOY-UHFFFAOYSA-N
MW2188.66 g/mol
LogP40.77
Rot. Bonds19

About 4-dibenzofuran-3-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[3-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]phenyl]pyrimidine;4-phenanthren-2-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine

4-dibenzofuran-3-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[3-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]phenyl]pyrimidine;4-phenanthren-2-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine (PubChem CID 159628481) has the molecular formula C161H106N6O4 and a molecular weight of 2188.66 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[3-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]phenyl]pyrimidine;4-phenanthren-2-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[3-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]phenyl]pyrimidine;4-phenanthren-2-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine
PubChem CID159628481
Molecular FormulaC161H106N6O4
Molecular Weight2188.66 g/mol
Exact Mass2186.83
IUPAC Name4-dibenzofuran-3-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[3-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]phenyl]pyrimidine;4-phenanthren-2-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccccc3-c3ccc(C4(c5ccccc5)c5ccccc5Oc5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3ccccc3-c3ccc(C4(c5ccccc5)c5ccccc5Oc5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc(C6(c7ccccc7)c7ccccc7Oc7ccccc76)cc5)c4)c3)n2)cc1
InChIInChI=1S/C55H36N2O.C53H34N2O2.C53H36N2O/c1-3-16-39(17-4-1)50-36-51(41-31-34-46-40(35-41)28-27-37-15-7-8-20-44(37)46)57-54(56-50)47-22-10-9-21-45(47)38-29-32-43(33-30-38)55(42-18-5-2-6-19-42)48-23-11-13-25-52(48)58-53-26-14-12-24-49(53)55;1-3-15-36(16-4-1)46-34-47(37-29-32-42-41-20-9-12-24-48(41)56-51(42)33-37)55-52(54-46)43-21-8-7-19-40(43)35-27-30-39(31-28-35)53(38-17-5-2-6-18-38)44-22-10-13-25-49(44)57-50-26-14-11-23-45(50)53;1-4-16-38(17-5-1)48-36-49(39-18-6-2-7-19-39)55-52(54-48)43-23-15-22-42(35-43)41-21-14-20-40(34-41)37-30-32-45(33-31-37)53(44-24-8-3-9-25-44)46-26-10-12-28-50(46)56-51-29-13-11-27-47(51)53/h1-36H;1-34H;1-36H
InChIKeyMOUQPWRDVDFKOY-UHFFFAOYSA-N
XLogP40.77
TPSA118.17 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms171
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002188.66
LogP ≤ 540.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-dibenzofuran-3-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[3-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]phenyl]pyrimidine;4-phenanthren-2-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine with MolForge

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Related Compounds

4-dibenzofuran-4-yl-2-phenyl-6-[3-(9-phenylxanthen-9-yl)phenyl]pyrimidine;2-naphthalen-2-yl-4-phenyl-6-[3-(9-phenylxanthen-9-yl)phenyl]pyrimidine;4-naphthalen-1-yl-2-phenyl-6-[3-(9-phenylxanthen-9-yl)phenyl]pyrimidine;4-phenyl-2-(2-phenylphenyl)-6-[3-(9-phenylxanthen-9-yl)phenyl]pyrimidine
CID 158550405
4-dibenzofuran-4-yl-6-phenyl-2-[4-(9-phenylxanthen-9-yl)phenyl]pyrimidine;4-naphthalen-1-yl-6-phenyl-2-[4-(9-phenylxanthen-9-yl)phenyl]pyrimidine;4-naphthalen-2-yl-6-phenyl-2-[4-(9-phenylxanthen-9-yl)phenyl]pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-[4-(9-phenylxanthen-9-yl)phenyl]pyrimidine
CID 158876766
4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378916
4-(3-dibenzofuran-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171603325
2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;bis(2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine);2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 160832249
4-(4-dibenzofuran-3-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603135
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)pyrimidine
CID 171603049
4-(2-dibenzofuran-3-ylphenyl)-6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171601905
4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
CID 171603263
2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 154613651
4-(4-dibenzofuran-2-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603028
4-dibenzofuran-3-yl-2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 158777118

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[3-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]phenyl]pyrimidine;4-phenanthren-2-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine?
The IUPAC name of 4-dibenzofuran-3-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[3-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]phenyl]pyrimidine;4-phenanthren-2-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine (CID 159628481) is 4-dibenzofuran-3-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[3-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]phenyl]pyrimidine;4-phenanthren-2-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine.
What is the SMILES notation for 4-dibenzofuran-3-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[3-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]phenyl]pyrimidine;4-phenanthren-2-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine?
The canonical SMILES for 4-dibenzofuran-3-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[3-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]phenyl]pyrimidine;4-phenanthren-2-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine is c1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccccc3-c3ccc(C4(c5ccccc5)c5ccccc5Oc5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3ccccc3-c3ccc(C4(c5ccccc5)c5ccccc5Oc5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc(C6(c7ccccc7)c7ccccc7Oc7ccccc76)cc5)c4)c3)n2)cc1.
What is the InChIKey of 4-dibenzofuran-3-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[3-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]phenyl]pyrimidine;4-phenanthren-2-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine?
The InChIKey is MOUQPWRDVDFKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2O.C53H34N2O2.C53H36N2O/c1-3-16-39(17-4-1)50-36-51(41-31-34-46-40(35-41)28-27-37-15-7-8-20-44(37)46)57-54(56-50)47-22-10-9-21-45(47)38-29-32-43(33-30-38)55(42-18-5-2-6-19-42)48-23-11-13-25-52(48)58-53-26-14-12-24-49(53)55;1-3-15-36(16-4-1)46-34-47(37-29-32-42-41-20-9-12-24-48(41)56-51(42)33-37)55-52(54-46)43-21-8-7-19-40(43)35-27-30-39(31-28-35)53(38-17-5-2-6-18-38)44-22-10-13-25-49(44)57-50-26-14-11-23-45(50)53;1-4-16-38(17-5-1)48-36-49(39-18-6-2-7-19-39)55-52(54-48)43-23-15-22-42(35-43)41-21-14-20-40(34-41)37-30-32-45(33-31-37)53(44-24-8-3-9-25-44)46-26-10-12-28-50(46)56-51-29-13-11-27-47(51)53/h1-36H;1-34H;1-36H.
What are the key properties of 4-dibenzofuran-3-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[3-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]phenyl]pyrimidine;4-phenanthren-2-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine?
4-dibenzofuran-3-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[3-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]phenyl]pyrimidine;4-phenanthren-2-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine has a molecular weight of 2188.66 g/mol, XLogP of 40.77, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-3-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[3-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]phenyl]pyrimidine;4-phenanthren-2-yl-6-phenyl-2-[2-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]pyrimidine is sourced from PubChem (CID 159628481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).