5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine

C43H25N3OS — CID 118477915

IUPAC5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine
SMILESc1ccc2c(c1)oc1c(-c3ccc(-c4ccc5cc(-c6cnc(-c7cccc8c7sc7ccccc78)nc6)ccc5c4)cn3)cccc12
InChIInChI=1S/C43H25N3OS/c1-3-13-39-32(7-1)34-9-5-11-36(41(34)47-39)38-20-19-30(23-44-38)28-17-15-27-22-29(18-16-26(27)21-28)31-24-45-43(46-25-31)37-12-6-10-35-33-8-2-4-14-40(33)48-42(35)37/h1-25H
InChIKeyLFCKAMHRSPWUHG-UHFFFAOYSA-N
MW631.76 g/mol
LogP11.96
Rot. Bonds4

About 5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine

5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine (PubChem CID 118477915) has the molecular formula C43H25N3OS and a molecular weight of 631.76 g/mol. Its IUPAC name is 5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine.

Molecular Properties

Compound Name5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine
PubChem CID118477915
Molecular FormulaC43H25N3OS
Molecular Weight631.76 g/mol
Exact Mass631.17
IUPAC Name5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine
SMILESc1ccc2c(c1)oc1c(-c3ccc(-c4ccc5cc(-c6cnc(-c7cccc8c7sc7ccccc78)nc6)ccc5c4)cn3)cccc12
InChIInChI=1S/C43H25N3OS/c1-3-13-39-32(7-1)34-9-5-11-36(41(34)47-39)38-20-19-30(23-44-38)28-17-15-27-22-29(18-16-26(27)21-28)31-24-45-43(46-25-31)37-12-6-10-35-33-8-2-4-14-40(33)48-42(35)37/h1-25H
InChIKeyLFCKAMHRSPWUHG-UHFFFAOYSA-N
XLogP11.96
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.76
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine
CID 171576906
4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyrimidine
CID 155078239
5-[7-(2-dibenzofuran-4-yl-1,2-dihydropyrimidin-5-yl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine
CID 118477888
2-chrysen-2-yl-4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazine
CID 170131595
[4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane
CID 169293440
2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 163799019
3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine
CID 170531478
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
2-dibenzofuran-4-yl-5-[3-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine
CID 118477908
2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4,6-diphenyl-1,3,5-triazine
CID 144953430
4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-(2-phenylnaphthalen-1-yl)pyrimidine
CID 146669962
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940

Frequently Asked Questions

What is the IUPAC name of 5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine?
The IUPAC name of 5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine (CID 118477915) is 5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine.
What is the SMILES notation for 5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine?
The canonical SMILES for 5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine is c1ccc2c(c1)oc1c(-c3ccc(-c4ccc5cc(-c6cnc(-c7cccc8c7sc7ccccc78)nc6)ccc5c4)cn3)cccc12.
What is the InChIKey of 5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine?
The InChIKey is LFCKAMHRSPWUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3OS/c1-3-13-39-32(7-1)34-9-5-11-36(41(34)47-39)38-20-19-30(23-44-38)28-17-15-27-22-29(18-16-26(27)21-28)31-24-45-43(46-25-31)37-12-6-10-35-33-8-2-4-14-40(33)48-42(35)37/h1-25H.
What are the key properties of 5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine?
5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine has a molecular weight of 631.76 g/mol, XLogP of 11.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine is sourced from PubChem (CID 118477915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).