4-[3,5-bis(3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine

C153H97N9O2S2 — CID 159673166

IUPAC4-[3,5-bis(3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-c6ccccc6)c5)c4)nc(-c4cccnc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4cccnc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-c5cccc6c5sc5ccccc56)cc(-c5cccc6c5sc5ccccc56)c4)nc(-c4cccnc4)n3)cc2)cc1
InChIInChI=1S/C51H31N3O2.C51H31N3S2.C51H35N3/c2*1-2-11-32(12-3-1)33-22-24-34(25-23-33)45-30-46(54-51(53-45)35-13-10-26-52-31-35)38-28-36(39-16-8-18-43-41-14-4-6-20-47(41)55-49(39)43)27-37(29-38)40-17-9-19-44-42-15-5-7-21-48(42)56-50(40)44;1-4-13-36(14-5-1)39-24-26-40(27-25-39)49-34-50(54-51(53-49)45-23-12-28-52-35-45)48-32-46(43-21-10-19-41(29-43)37-15-6-2-7-16-37)31-47(33-48)44-22-11-20-42(30-44)38-17-8-3-9-18-38/h2*1-31H;1-35H
InChIKeyMUGHNVCIRHISGR-UHFFFAOYSA-N
MW2157.65 g/mol
LogP41.49
Rot. Bonds20

About 4-[3,5-bis(3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine

4-[3,5-bis(3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine (PubChem CID 159673166) has the molecular formula C153H97N9O2S2 and a molecular weight of 2157.65 g/mol. Its IUPAC name is 4-[3,5-bis(3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-[3,5-bis(3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine
PubChem CID159673166
Molecular FormulaC153H97N9O2S2
Molecular Weight2157.65 g/mol
Exact Mass2155.72
IUPAC Name4-[3,5-bis(3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-c6ccccc6)c5)c4)nc(-c4cccnc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4cccnc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-c5cccc6c5sc5ccccc56)cc(-c5cccc6c5sc5ccccc56)c4)nc(-c4cccnc4)n3)cc2)cc1
InChIInChI=1S/C51H31N3O2.C51H31N3S2.C51H35N3/c2*1-2-11-32(12-3-1)33-22-24-34(25-23-33)45-30-46(54-51(53-45)35-13-10-26-52-31-35)38-28-36(39-16-8-18-43-41-14-4-6-20-47(41)55-49(39)43)27-37(29-38)40-17-9-19-44-42-15-5-7-21-48(42)56-50(40)44;1-4-13-36(14-5-1)39-24-26-40(27-25-39)49-34-50(54-51(53-49)45-23-12-28-52-35-45)48-32-46(43-21-10-19-41(29-43)37-15-6-2-7-16-37)31-47(33-48)44-22-11-20-42(30-44)38-17-8-3-9-18-38/h2*1-31H;1-35H
InChIKeyMUGHNVCIRHISGR-UHFFFAOYSA-N
XLogP41.49
TPSA142.29 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002157.65
LogP ≤ 541.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 4-[3,5-bis(3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine with MolForge

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Related Compounds

4-[3,5-Di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130262098
2-[3,5-Di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263321
4-[3,5-Di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263391
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
4-Dibenzofuran-2-yl-6-dibenzothiophen-3-yl-2-(7-fluorodibenzothiophen-3-yl)pyrimidine
CID 138736622
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
2,4-Diphenyl-6-[6-[5-phenylsulfanyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 155050358
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

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4-[3,5-bis(3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine (CID 159673166) is 4-[3,5-bis(3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-[3,5-bis(3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-[3,5-bis(3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine is c1ccc(-c2ccc(-c3cc(-c4cc(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-c6ccccc6)c5)c4)nc(-c4cccnc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4cccnc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-c5cccc6c5sc5ccccc56)cc(-c5cccc6c5sc5ccccc56)c4)nc(-c4cccnc4)n3)cc2)cc1.
What is the InChIKey of 4-[3,5-bis(3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine?
The InChIKey is MUGHNVCIRHISGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2.C51H31N3S2.C51H35N3/c2*1-2-11-32(12-3-1)33-22-24-34(25-23-33)45-30-46(54-51(53-45)35-13-10-26-52-31-35)38-28-36(39-16-8-18-43-41-14-4-6-20-47(41)55-49(39)43)27-37(29-38)40-17-9-19-44-42-15-5-7-21-48(42)56-50(40)44;1-4-13-36(14-5-1)39-24-26-40(27-25-39)49-34-50(54-51(53-49)45-23-12-28-52-35-45)48-32-46(43-21-10-19-41(29-43)37-15-6-2-7-16-37)31-47(33-48)44-22-11-20-42(30-44)38-17-8-3-9-18-38/h2*1-31H;1-35H.
What are the key properties of 4-[3,5-bis(3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine?
4-[3,5-bis(3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine has a molecular weight of 2157.65 g/mol, XLogP of 41.49, 20 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 159673166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).