2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;2-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine

C173H111N9O — CID 162005559

IUPAC2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;2-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cccc(-c5ccc6nc(-c7ccccc7)c7cccc(-c8ccccc8)c7c6c5)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3cccc(-c4ccc5nc(-c6ccccc6)c6cccc(-c7ccccc7)c6c5c4)c3)n2)cc1.c1ccc(-c2nc3ccc(-c4cccc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4)cc3c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C59H37N3O.C59H39N3.C55H35N3/c1-4-15-38(16-5-1)46-24-13-27-50-56(46)51-36-44(33-34-52(51)60-57(50)41-17-6-2-7-18-41)43-21-12-22-45(35-43)54-37-53(61-59(62-54)42-19-8-3-9-20-42)40-31-29-39(30-32-40)47-25-14-26-49-48-23-10-11-28-55(48)63-58(47)49;1-6-18-40(19-7-1)48-35-49(41-20-8-2-9-21-41)37-50(36-48)56-39-55(61-59(62-56)44-26-14-5-15-27-44)47-29-16-28-45(34-47)46-32-33-54-53(38-46)57-51(42-22-10-3-11-23-42)30-17-31-52(57)58(60-54)43-24-12-4-13-25-43;1-3-15-38(16-4-1)47-23-12-24-48-53(47)49-34-43(29-30-50(49)56-54(48)39-17-5-2-6-18-39)42-21-11-22-44(32-42)51-35-52(45-27-25-36-13-7-9-19-40(36)31-45)58-55(57-51)46-28-26-37-14-8-10-20-41(37)33-46/h1-37H;1-39H;1-35H
InChIKeyYSUBDLVUZDPTRP-UHFFFAOYSA-N
MW2331.85 g/mol
LogP45.75
Rot. Bonds21

About 2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;2-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine

2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;2-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine (PubChem CID 162005559) has the molecular formula C173H111N9O and a molecular weight of 2331.85 g/mol. Its IUPAC name is 2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;2-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine.

Molecular Properties

Compound Name2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;2-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
PubChem CID162005559
Molecular FormulaC173H111N9O
Molecular Weight2331.85 g/mol
Exact Mass2329.89
IUPAC Name2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;2-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cccc(-c5ccc6nc(-c7ccccc7)c7cccc(-c8ccccc8)c7c6c5)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3cccc(-c4ccc5nc(-c6ccccc6)c6cccc(-c7ccccc7)c6c5c4)c3)n2)cc1.c1ccc(-c2nc3ccc(-c4cccc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4)cc3c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C59H37N3O.C59H39N3.C55H35N3/c1-4-15-38(16-5-1)46-24-13-27-50-56(46)51-36-44(33-34-52(51)60-57(50)41-17-6-2-7-18-41)43-21-12-22-45(35-43)54-37-53(61-59(62-54)42-19-8-3-9-20-42)40-31-29-39(30-32-40)47-25-14-26-49-48-23-10-11-28-55(48)63-58(47)49;1-6-18-40(19-7-1)48-35-49(41-20-8-2-9-21-41)37-50(36-48)56-39-55(61-59(62-56)44-26-14-5-15-27-44)47-29-16-28-45(34-47)46-32-33-54-53(38-46)57-51(42-22-10-3-11-23-42)30-17-31-52(57)58(60-54)43-24-12-4-13-25-43;1-3-15-38(16-4-1)47-23-12-24-48-53(47)49-34-43(29-30-50(49)56-54(48)39-17-5-2-6-18-39)42-21-11-22-44(32-42)51-35-52(45-27-25-36-13-7-9-19-40(36)31-45)58-55(57-51)46-28-26-37-14-8-10-20-41(37)33-46/h1-37H;1-39H;1-35H
InChIKeyYSUBDLVUZDPTRP-UHFFFAOYSA-N
XLogP45.75
TPSA129.15 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms183
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002331.85
LogP ≤ 545.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;2-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine with MolForge

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Related Compounds

2-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548632
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 171583506
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583085
4-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine
CID 130465796
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 160528168
4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 121460850
2-dibenzofuran-4-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465875
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 158944867
4-(4-dibenzofuran-1-ylphenyl)-6-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583737
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 154613978
2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 159915324
4-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 164835304

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;2-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine?
The IUPAC name of 2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;2-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine (CID 162005559) is 2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;2-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine.
What is the SMILES notation for 2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;2-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine?
The canonical SMILES for 2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;2-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cccc(-c5ccc6nc(-c7ccccc7)c7cccc(-c8ccccc8)c7c6c5)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3cccc(-c4ccc5nc(-c6ccccc6)c6cccc(-c7ccccc7)c6c5c4)c3)n2)cc1.c1ccc(-c2nc3ccc(-c4cccc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4)cc3c3c(-c4ccccc4)cccc23)cc1.
What is the InChIKey of 2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;2-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine?
The InChIKey is YSUBDLVUZDPTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3O.C59H39N3.C55H35N3/c1-4-15-38(16-5-1)46-24-13-27-50-56(46)51-36-44(33-34-52(51)60-57(50)41-17-6-2-7-18-41)43-21-12-22-45(35-43)54-37-53(61-59(62-54)42-19-8-3-9-20-42)40-31-29-39(30-32-40)47-25-14-26-49-48-23-10-11-28-55(48)63-58(47)49;1-6-18-40(19-7-1)48-35-49(41-20-8-2-9-21-41)37-50(36-48)56-39-55(61-59(62-56)44-26-14-5-15-27-44)47-29-16-28-45(34-47)46-32-33-54-53(38-46)57-51(42-22-10-3-11-23-42)30-17-31-52(57)58(60-54)43-24-12-4-13-25-43;1-3-15-38(16-4-1)47-23-12-24-48-53(47)49-34-43(29-30-50(49)56-54(48)39-17-5-2-6-18-39)42-21-11-22-44(32-42)51-35-52(45-27-25-36-13-7-9-19-40(36)31-45)58-55(57-51)46-28-26-37-14-8-10-20-41(37)33-46/h1-37H;1-39H;1-35H.
What are the key properties of 2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;2-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine?
2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;2-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine has a molecular weight of 2331.85 g/mol, XLogP of 45.75, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;2-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine is sourced from PubChem (CID 162005559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).