2-dibenzofuran-2-yl-4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenylpyrimidine

C50H30N2OS — CID 171583292

IUPAC2-dibenzofuran-2-yl-4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4cccc5ccccc45)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C50H30N2OS/c1-2-12-32(13-3-1)44-30-45(52-50(51-44)34-21-23-47-42(29-34)40-16-6-8-19-46(40)53-47)37-26-35(25-36(27-37)39-18-10-14-31-11-4-5-15-38(31)39)33-22-24-49-43(28-33)41-17-7-9-20-48(41)54-49/h1-30H
InChIKeySPDPMFGWFPPRRY-UHFFFAOYSA-N
MW706.87 g/mol
LogP14.23
Rot. Bonds5

About 2-dibenzofuran-2-yl-4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenylpyrimidine

2-dibenzofuran-2-yl-4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenylpyrimidine (PubChem CID 171583292) has the molecular formula C50H30N2OS and a molecular weight of 706.87 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenylpyrimidine
PubChem CID171583292
Molecular FormulaC50H30N2OS
Molecular Weight706.87 g/mol
Exact Mass706.21
IUPAC Name2-dibenzofuran-2-yl-4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4cccc5ccccc45)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C50H30N2OS/c1-2-12-32(13-3-1)44-30-45(52-50(51-44)34-21-23-47-42(29-34)40-16-6-8-19-46(40)53-47)37-26-35(25-36(27-37)39-18-10-14-31-11-4-5-15-38(31)39)33-22-24-49-43(28-33)41-17-7-9-20-48(41)54-49/h1-30H
InChIKeySPDPMFGWFPPRRY-UHFFFAOYSA-N
XLogP14.23
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.87
LogP ≤ 514.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-2-(3-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171585058
4-dibenzothiophen-2-yl-2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenylpyrimidine
CID 137465858
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583274
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 130359574
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 171584318
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583329
4-[3-(4-dibenzofuran-2-ylphenyl)-5-dibenzothiophen-4-ylphenyl]-2,6-diphenylpyrimidine
CID 171584514
4-dibenzofuran-2-yl-6-(3-dibenzothiophen-2-yl-5-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 171585383
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171582809
4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-[2,5-di(dibenzothiophen-2-yl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine;4-[2,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 167551913
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
CID 171583764
4-[3,5-bis(naphtho[1,2-b][1]benzofuran-6-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
CID 158535425

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenylpyrimidine?
The IUPAC name of 2-dibenzofuran-2-yl-4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenylpyrimidine (CID 171583292) is 2-dibenzofuran-2-yl-4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenylpyrimidine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenylpyrimidine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenylpyrimidine is c1ccc(-c2cc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4cccc5ccccc45)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenylpyrimidine?
The InChIKey is SPDPMFGWFPPRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2OS/c1-2-12-32(13-3-1)44-30-45(52-50(51-44)34-21-23-47-42(29-34)40-16-6-8-19-46(40)53-47)37-26-35(25-36(27-37)39-18-10-14-31-11-4-5-15-38(31)39)33-22-24-49-43(28-33)41-17-7-9-20-48(41)54-49/h1-30H.
What are the key properties of 2-dibenzofuran-2-yl-4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenylpyrimidine?
2-dibenzofuran-2-yl-4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenylpyrimidine has a molecular weight of 706.87 g/mol, XLogP of 14.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenylpyrimidine is sourced from PubChem (CID 171583292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).