2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile

C147H87N7O6 — CID 165060510

IUPAC2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)nc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/2C50H30N2O2.C47H27N3O2/c1-2-12-32(13-3-1)44-30-45(39-18-10-14-31-11-4-5-15-38(31)39)52-50(51-44)37-26-35(33-21-23-48-42(28-33)40-16-6-8-19-46(40)53-48)25-36(27-37)34-22-24-49-43(29-34)41-17-7-9-20-47(41)54-49;1-2-11-32(12-3-1)44-30-45(36-19-18-31-10-4-5-13-33(31)24-36)52-50(51-44)39-26-37(34-20-22-48-42(28-34)40-14-6-8-16-46(40)53-48)25-38(27-39)35-21-23-49-43(29-35)41-15-7-9-17-47(41)54-49;48-28-32-12-4-5-13-36(32)42-27-41(49-47(50-42)29-10-2-1-3-11-29)35-23-33(30-18-20-45-39(25-30)37-14-6-8-16-43(37)51-45)22-34(24-35)31-19-21-46-40(26-31)38-15-7-9-17-44(38)52-46/h2*1-30H;1-27H
InChIKeyRCQVYBCPMZPVEJ-UHFFFAOYSA-N
MW2047.36 g/mol
LogP40.01
Rot. Bonds15

About 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile

2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile (PubChem CID 165060510) has the molecular formula C147H87N7O6 and a molecular weight of 2047.36 g/mol. Its IUPAC name is 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile.

Molecular Properties

Compound Name2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile
PubChem CID165060510
Molecular FormulaC147H87N7O6
Molecular Weight2047.36 g/mol
Exact Mass2045.67
IUPAC Name2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)nc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/2C50H30N2O2.C47H27N3O2/c1-2-12-32(13-3-1)44-30-45(39-18-10-14-31-11-4-5-15-38(31)39)52-50(51-44)37-26-35(33-21-23-48-42(28-33)40-16-6-8-19-46(40)53-48)25-36(27-37)34-22-24-49-43(29-34)41-17-7-9-20-47(41)54-49;1-2-11-32(12-3-1)44-30-45(36-19-18-31-10-4-5-13-33(31)24-36)52-50(51-44)39-26-37(34-20-22-48-42(28-34)40-14-6-8-16-46(40)53-48)25-38(27-39)35-21-23-49-43(29-35)41-15-7-9-17-47(41)54-49;48-28-32-12-4-5-13-36(32)42-27-41(49-47(50-42)29-10-2-1-3-11-29)35-23-33(30-18-20-45-39(25-30)37-14-6-8-16-43(37)51-45)22-34(24-35)31-19-21-46-40(26-31)38-15-7-9-17-44(38)52-46/h2*1-30H;1-27H
InChIKeyRCQVYBCPMZPVEJ-UHFFFAOYSA-N
XLogP40.01
TPSA179.97 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002047.36
LogP ≤ 540.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile with MolForge

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Related Compounds

4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 171584011
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-2-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583020
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
CID 171583764
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583329
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-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583274
4-(3-dibenzofuran-3-yl-5-naphthalen-1-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171584084
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-phenyl-6-(6-phenylnaphthalen-2-yl)pyrimidine
CID 171583494
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile;3-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile
CID 158858797
4-(3-dibenzofuran-3-yl-5-naphthalen-1-ylphenyl)-2-naphthalen-2-yl-6-phenylpyrimidine
CID 171584547
4-[3-dibenzofuran-2-yl-5-(2-phenanthren-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583028
4-[3-dibenzofuran-2-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(6-phenylnaphthalen-2-yl)pyrimidine
CID 171585500

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile?
The IUPAC name of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile (CID 165060510) is 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile.
What is the SMILES notation for 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile?
The canonical SMILES for 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile is N#Cc1ccccc1-c1cc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)nc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.
What is the InChIKey of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile?
The InChIKey is RCQVYBCPMZPVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H30N2O2.C47H27N3O2/c1-2-12-32(13-3-1)44-30-45(39-18-10-14-31-11-4-5-15-38(31)39)52-50(51-44)37-26-35(33-21-23-48-42(28-33)40-16-6-8-19-46(40)53-48)25-36(27-37)34-22-24-49-43(29-34)41-17-7-9-20-47(41)54-49;1-2-11-32(12-3-1)44-30-45(36-19-18-31-10-4-5-13-33(31)24-36)52-50(51-44)39-26-37(34-20-22-48-42(28-34)40-14-6-8-16-46(40)53-48)25-38(27-39)35-21-23-49-43(29-35)41-15-7-9-17-47(41)54-49;48-28-32-12-4-5-13-36(32)42-27-41(49-47(50-42)29-10-2-1-3-11-29)35-23-33(30-18-20-45-39(25-30)37-14-6-8-16-43(37)51-45)22-34(24-35)31-19-21-46-40(26-31)38-15-7-9-17-44(38)52-46/h2*1-30H;1-27H.
What are the key properties of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile?
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile has a molecular weight of 2047.36 g/mol, XLogP of 40.01, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile is sourced from PubChem (CID 165060510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).