4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine

C125H79N7OS4 — CID 157168231

IUPAC4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6ccccc6s5)cc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6ccccc6s5)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6ccccc6s5)cc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C42H26N2OS.C42H26N2S2.C41H27N3S/c1-2-8-27(9-3-1)28-14-16-29(17-15-28)36-26-37(30-18-20-31(21-19-30)41-25-32-10-4-7-13-40(32)46-41)44-42(43-36)33-22-23-35-34-11-5-6-12-38(34)45-39(35)24-33;1-2-8-27(9-3-1)28-14-16-29(17-15-28)36-26-37(30-18-20-31(21-19-30)40-24-32-10-4-6-12-38(32)45-40)44-42(43-36)33-22-23-35-34-11-5-7-13-39(34)46-41(35)25-33;1-2-7-28(8-3-1)29-12-16-31(17-13-29)37-26-38(32-18-20-33(21-19-32)40-25-35-9-4-5-11-39(35)45-40)44-41(43-37)34-22-14-30(15-23-34)36-10-6-24-42-27-36/h2*1-26H;1-27H
InChIKeyANDXKYFRTCREJE-UHFFFAOYSA-N
MW1823.32 g/mol
LogP35.41
Rot. Bonds16

About 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine

4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 157168231) has the molecular formula C125H79N7OS4 and a molecular weight of 1823.32 g/mol. Its IUPAC name is 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
PubChem CID157168231
Molecular FormulaC125H79N7OS4
Molecular Weight1823.32 g/mol
Exact Mass1821.52
IUPAC Name4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6ccccc6s5)cc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6ccccc6s5)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6ccccc6s5)cc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C42H26N2OS.C42H26N2S2.C41H27N3S/c1-2-8-27(9-3-1)28-14-16-29(17-15-28)36-26-37(30-18-20-31(21-19-30)41-25-32-10-4-7-13-40(32)46-41)44-42(43-36)33-22-23-35-34-11-5-6-12-38(34)45-39(35)24-33;1-2-8-27(9-3-1)28-14-16-29(17-15-28)36-26-37(30-18-20-31(21-19-30)40-24-32-10-4-6-12-38(32)45-40)44-42(43-36)33-22-23-35-34-11-5-7-13-39(34)46-41(35)25-33;1-2-7-28(8-3-1)29-12-16-31(17-13-29)37-26-38(32-18-20-33(21-19-32)40-25-35-9-4-5-11-39(35)45-40)44-41(43-37)34-22-14-30(15-23-34)36-10-6-24-42-27-36/h2*1-26H;1-27H
InChIKeyANDXKYFRTCREJE-UHFFFAOYSA-N
XLogP35.41
TPSA103.37 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001823.32
LogP ≤ 535.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine 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-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-1-yl)-6-(7-pyridin-3-yldibenzothiophen-2-yl)-1,3,5-triazine
CID 147710318
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
[6-[3-(8-Tert-butyl-6-phenyldibenzofuran-4-yl)phenyl]triphenylen-2-yl]-trimethylsilane;4-[6-(4-cyclohexylphenyl)dibenzothiophen-4-yl]-2-phenyl-6-triphenylen-2-ylpyrimidine;(3-dibenzothiophen-3-yl-5-triphenylen-2-ylphenyl)-triphenylsilane;[3-(6,8-diphenyldibenzofuran-3-yl)-5-triphenylen-2-ylphenyl]-trimethylsilane;2-[4-(3-fluorophenyl)phenyl]-6-[8-fluoro-4-(3-triphenylen-2-ylphenyl)dibenzothiophen-2-yl]pyrazine;3-(3-fluoro-5-triphenylen-2-ylphenyl)dibenzothiophene;4-(4-methylphenyl)-6-[3-(trifluoromethyl)-5-triphenylen-2-ylphenyl]dibenzothiophene
CID 159258663

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine (CID 157168231) is 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6ccccc6s5)cc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6ccccc6s5)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6ccccc6s5)cc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is ANDXKYFRTCREJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2OS.C42H26N2S2.C41H27N3S/c1-2-8-27(9-3-1)28-14-16-29(17-15-28)36-26-37(30-18-20-31(21-19-30)41-25-32-10-4-7-13-40(32)46-41)44-42(43-36)33-22-23-35-34-11-5-6-12-38(34)45-39(35)24-33;1-2-8-27(9-3-1)28-14-16-29(17-15-28)36-26-37(30-18-20-31(21-19-30)40-24-32-10-4-6-12-38(32)45-40)44-42(43-36)33-22-23-35-34-11-5-7-13-39(34)46-41(35)25-33;1-2-7-28(8-3-1)29-12-16-31(17-13-29)37-26-38(32-18-20-33(21-19-32)40-25-35-9-4-5-11-39(35)45-40)44-41(43-37)34-22-14-30(15-23-34)36-10-6-24-42-27-36/h2*1-26H;1-27H.
What are the key properties of 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine?
4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 1823.32 g/mol, XLogP of 35.41, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 157168231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).