2-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine

C50H30N2OS — CID 166975065

IUPAC2-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5oc6cc7ccccc7cc6c45)cc3)n2)cc1
InChIInChI=1S/C50H30N2OS/c1-3-11-32(12-4-1)43-30-44(33-13-5-2-6-14-33)52-50(51-43)34-21-19-31(20-22-34)38-24-25-39(37-23-26-47-41(28-37)40-17-9-10-18-46(40)54-47)49-48(38)42-27-35-15-7-8-16-36(35)29-45(42)53-49/h1-30H
InChIKeyOYADIKZOBQNANF-UHFFFAOYSA-N
MW706.87 g/mol
LogP14.23
Rot. Bonds5

About 2-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine

2-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine (PubChem CID 166975065) has the molecular formula C50H30N2OS and a molecular weight of 706.87 g/mol. Its IUPAC name is 2-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine
PubChem CID166975065
Molecular FormulaC50H30N2OS
Molecular Weight706.87 g/mol
Exact Mass706.21
IUPAC Name2-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5oc6cc7ccccc7cc6c45)cc3)n2)cc1
InChIInChI=1S/C50H30N2OS/c1-3-11-32(12-4-1)43-30-44(33-13-5-2-6-14-33)52-50(51-43)34-21-19-31(20-22-34)38-24-25-39(37-23-26-47-41(28-37)40-17-9-10-18-46(40)54-47)49-48(38)42-27-35-15-7-8-16-36(35)29-45(42)53-49/h1-30H
InChIKeyOYADIKZOBQNANF-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

Analyze 2-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine with MolForge

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Related Compounds

2-dibenzothiophen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 164989697
4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 158120432
4-(4-dibenzothiophen-2-yldibenzofuran-1-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 157201681
2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 155079414
2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 159724346
2,4-diphenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]pyrimidine
CID 166975307
2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078738
2-dibenzothiophen-3-yl-4-phenyl-6-[4-[4-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine
CID 165038235
4-[4-(4-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155078092
4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine
CID 155078060
2-[4-(4-dibenzothiophen-4-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166974662
4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078604

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine (CID 166975065) is 2-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5oc6cc7ccccc7cc6c45)cc3)n2)cc1.
What is the InChIKey of 2-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine?
The InChIKey is OYADIKZOBQNANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2OS/c1-3-11-32(12-4-1)43-30-44(33-13-5-2-6-14-33)52-50(51-43)34-21-19-31(20-22-34)38-24-25-39(37-23-26-47-41(28-37)40-17-9-10-18-46(40)54-47)49-48(38)42-27-35-15-7-8-16-36(35)29-45(42)53-49/h1-30H.
What are the key properties of 2-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine?
2-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine 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-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 166975065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).