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

C128H74N10O3S3 — CID 157369836

IUPAC2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyrimidine;2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine;5-[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.c1ccc2c(c1)oc1c(-c3ncc(-c4ccc5cc(-c6ccc(-c7cccc8c7sc7ccccc78)nc6)ccc5c4)cn3)cccc12.c1ccc2c(c1)oc1c(-c3ncc(-c4ccc5cc(-c6cnc(-c7cccc8c7sc7ccccc78)nc6)ccc5c4)cn3)cccc12
InChIInChI=1S/2C43H25N3OS.C42H24N4OS/c1-3-13-39-32(7-1)34-9-5-12-37(41(34)47-39)43-45-24-31(25-46-43)29-18-16-26-21-28(17-15-27(26)22-29)30-19-20-38(44-23-30)36-11-6-10-35-33-8-2-4-14-40(33)48-42(35)36;1-3-13-39-32(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;1-3-13-37-31(7-1)33-9-5-11-35(39(33)47-37)41-43-21-29(22-44-41)27-17-15-26-20-28(18-16-25(26)19-27)30-23-45-42(46-24-30)36-12-6-10-34-32-8-2-4-14-38(32)48-40(34)36/h2*1-25H;1-24H
InChIKeyBJPYFWJLKYQAOC-UHFFFAOYSA-N
MW1896.27 g/mol
LogP35.28
Rot. Bonds12

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

2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyrimidine;2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine;5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine (PubChem CID 157369836) has the molecular formula C128H74N10O3S3 and a molecular weight of 1896.27 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyrimidine;2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine;5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyrimidine;2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine;5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine
PubChem CID157369836
Molecular FormulaC128H74N10O3S3
Molecular Weight1896.27 g/mol
Exact Mass1894.51
IUPAC Name2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyrimidine;2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine;5-[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.c1ccc2c(c1)oc1c(-c3ncc(-c4ccc5cc(-c6ccc(-c7cccc8c7sc7ccccc78)nc6)ccc5c4)cn3)cccc12.c1ccc2c(c1)oc1c(-c3ncc(-c4ccc5cc(-c6cnc(-c7cccc8c7sc7ccccc78)nc6)ccc5c4)cn3)cccc12
InChIInChI=1S/2C43H25N3OS.C42H24N4OS/c1-3-13-39-32(7-1)34-9-5-12-37(41(34)47-39)43-45-24-31(25-46-43)29-18-16-26-21-28(17-15-27(26)22-29)30-19-20-38(44-23-30)36-11-6-10-35-33-8-2-4-14-40(33)48-42(35)36;1-3-13-39-32(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;1-3-13-37-31(7-1)33-9-5-11-35(39(33)47-37)41-43-21-29(22-44-41)27-17-15-26-20-28(18-16-25(26)19-27)30-23-45-42(46-24-30)36-12-6-10-34-32-8-2-4-14-38(32)48-40(34)36/h2*1-25H;1-24H
InChIKeyBJPYFWJLKYQAOC-UHFFFAOYSA-N
XLogP35.28
TPSA168.32 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001896.27
LogP ≤ 535.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyrimidine;2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine;5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine with MolForge

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Related Compounds

2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-3-yl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138519456
2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-2-yl)-6-(7-pyridin-3-yldibenzothiophen-3-yl)-1,3,5-triazine
CID 138519473
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138519725
2-[6-[4-(4-Tert-butylphenyl)-6-[8-[6-[4-[6-[2-(3-fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-2-yl]-6-phenyldibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]quinazoline
CID 148308671
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-1-yl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 149135658
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155096700
2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-4-yl)-6-(7-pyridin-3-yldibenzothiophen-4-yl)-1,3,5-triazine
CID 155096713
2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-1-yl)-6-(7-pyridin-3-yldibenzothiophen-4-yl)-1,3,5-triazine
CID 155096731
2-Dibenzofuran-2-yl-4-(4-fluorophenyl)-6-[2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 156341436
3-([1]benzothiolo[3,2-d]pyrimidin-4-yl)-2-ethenylpent-4-enenitrile;4-([1]benzothiolo[3,2-d]pyrimidin-4-yl)-2-methylidenehex-5-enenitrile;tetrakis(2-dibenzofuran-1-yl-4,6-diphenyl-1,3,5-triazine);4-[(5E)-6-fluorohexa-1,5-dien-3-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 157080266
CID 157442309
CID 157442309
2,4-Diphenyl-6-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]-1,3,5-triazine;6-[10-(2-isocyanophenyl)anthracen-9-yl]-3-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]quinoline;3-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran
CID 157749525

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyrimidine;2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine;5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine?
The IUPAC name of 2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyrimidine;2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine;5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine (CID 157369836) is 2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyrimidine;2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine;5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine.
What is the SMILES notation for 2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyrimidine;2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine;5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine?
The canonical SMILES for 2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyrimidine;2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine;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.c1ccc2c(c1)oc1c(-c3ncc(-c4ccc5cc(-c6ccc(-c7cccc8c7sc7ccccc78)nc6)ccc5c4)cn3)cccc12.c1ccc2c(c1)oc1c(-c3ncc(-c4ccc5cc(-c6cnc(-c7cccc8c7sc7ccccc78)nc6)ccc5c4)cn3)cccc12.
What is the InChIKey of 2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyrimidine;2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine;5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine?
The InChIKey is BJPYFWJLKYQAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H25N3OS.C42H24N4OS/c1-3-13-39-32(7-1)34-9-5-12-37(41(34)47-39)43-45-24-31(25-46-43)29-18-16-26-21-28(17-15-27(26)22-29)30-19-20-38(44-23-30)36-11-6-10-35-33-8-2-4-14-40(33)48-42(35)36;1-3-13-39-32(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;1-3-13-37-31(7-1)33-9-5-11-35(39(33)47-37)41-43-21-29(22-44-41)27-17-15-26-20-28(18-16-25(26)19-27)30-23-45-42(46-24-30)36-12-6-10-34-32-8-2-4-14-38(32)48-40(34)36/h2*1-25H;1-24H.
What are the key properties of 2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyrimidine;2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine;5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine?
2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyrimidine;2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine;5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine has a molecular weight of 1896.27 g/mol, XLogP of 35.28, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyrimidine;2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine;5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine is sourced from PubChem (CID 157369836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).