4,6-bis(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-3-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine

C228H140N10S9 — CID 157307725

IUPAC4,6-bis(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-3-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)cc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)cc(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)n2)cc1
InChIInChI=1S/4C46H28N2S2.C44H28N2S/c1-2-9-33(10-3-1)46-47-40(31-21-17-29(18-22-31)34-25-26-44-39(27-34)37-12-5-6-15-42(37)49-44)28-41(48-46)32-23-19-30(20-24-32)35-13-8-14-38-36-11-4-7-16-43(36)50-45(35)38;1-2-10-33(11-3-1)46-47-38(31-24-20-29(21-25-31)34-14-8-18-42-44(34)36-12-4-6-16-40(36)49-42)28-39(48-46)32-26-22-30(23-27-32)35-15-9-19-43-45(35)37-13-5-7-17-41(37)50-43;1-2-8-33(9-3-1)46-47-40(31-18-14-29(15-19-31)34-22-24-44-38(26-34)36-10-4-6-12-42(36)49-44)28-41(48-46)32-20-16-30(17-21-32)35-23-25-45-39(27-35)37-11-5-7-13-43(37)50-45;1-2-8-33(9-3-1)46-47-40(31-18-14-29(15-19-31)34-22-24-38-36-10-4-6-12-42(36)49-44(38)26-34)28-41(48-46)32-20-16-30(17-21-32)35-23-25-39-37-11-5-7-13-43(37)50-45(39)27-35;1-2-9-34(10-3-1)44-45-40(32-19-14-30(15-20-32)36-23-18-29-8-4-5-11-35(29)26-36)28-41(46-44)33-21-16-31(17-22-33)37-24-25-43-39(27-37)38-12-6-7-13-42(38)47-43/h4*1-28H;1-28H
InChIKeyBCRKDOKEQHVFGK-UHFFFAOYSA-N
MW3308.30 g/mol
LogP66.52
Rot. Bonds25

About 4,6-bis(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-3-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine

4,6-bis(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-3-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine (PubChem CID 157307725) has the molecular formula C228H140N10S9 and a molecular weight of 3308.30 g/mol. Its IUPAC name is 4,6-bis(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-3-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4,6-bis(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-3-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine
PubChem CID157307725
Molecular FormulaC228H140N10S9
Molecular Weight3308.30 g/mol
Exact Mass3304.87
IUPAC Name4,6-bis(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-3-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)cc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)cc(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)n2)cc1
InChIInChI=1S/4C46H28N2S2.C44H28N2S/c1-2-9-33(10-3-1)46-47-40(31-21-17-29(18-22-31)34-25-26-44-39(27-34)37-12-5-6-15-42(37)49-44)28-41(48-46)32-23-19-30(20-24-32)35-13-8-14-38-36-11-4-7-16-43(36)50-45(35)38;1-2-10-33(11-3-1)46-47-38(31-24-20-29(21-25-31)34-14-8-18-42-44(34)36-12-4-6-16-40(36)49-42)28-39(48-46)32-26-22-30(23-27-32)35-15-9-19-43-45(35)37-13-5-7-17-41(37)50-43;1-2-8-33(9-3-1)46-47-40(31-18-14-29(15-19-31)34-22-24-44-38(26-34)36-10-4-6-12-42(36)49-44)28-41(48-46)32-20-16-30(17-21-32)35-23-25-45-39(27-35)37-11-5-7-13-43(37)50-45;1-2-8-33(9-3-1)46-47-40(31-18-14-29(15-19-31)34-22-24-38-36-10-4-6-12-42(36)49-44(38)26-34)28-41(48-46)32-20-16-30(17-21-32)35-23-25-39-37-11-5-7-13-43(37)50-45(39)27-35;1-2-9-34(10-3-1)44-45-40(32-19-14-30(15-20-32)36-23-18-29-8-4-5-11-35(29)26-36)28-41(46-44)33-21-16-31(17-22-33)37-24-25-43-39(27-37)38-12-6-7-13-42(38)47-43/h4*1-28H;1-28H
InChIKeyBCRKDOKEQHVFGK-UHFFFAOYSA-N
XLogP66.52
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms247
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003308.30
LogP ≤ 566.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 4,6-bis(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-3-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine with MolForge

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Related Compounds

4-[3,5-di(dibenzothiophen-1-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-1-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-3-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-3-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 167551235
4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine
CID 158502454
4-[4-[8-[8-[3-dibenzothiophen-2-yl-5-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]dibenzothiophen-4-yl]phenyl]-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine
CID 137465889
2-(3-dibenzothiophen-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-3-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 161029861
2-(3-dibenzothiophen-1-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-3-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167660422
4-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171584973
2-dibenzothiophen-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850235
2-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 155328619
4-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 153301922
2-dibenzothiophen-4-yl-4-(7-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168744219
2-[4-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[4-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-[4-[6-(4-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-[6-(4-dibenzothiophen-3-ylphenyl)naphthalen-2-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167568072
4-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171582976

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-3-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine?
The IUPAC name of 4,6-bis(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-3-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine (CID 157307725) is 4,6-bis(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-3-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4,6-bis(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-3-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine?
The canonical SMILES for 4,6-bis(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-3-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)cc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)cc(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)n2)cc1.
What is the InChIKey of 4,6-bis(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-3-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine?
The InChIKey is BCRKDOKEQHVFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C46H28N2S2.C44H28N2S/c1-2-9-33(10-3-1)46-47-40(31-21-17-29(18-22-31)34-25-26-44-39(27-34)37-12-5-6-15-42(37)49-44)28-41(48-46)32-23-19-30(20-24-32)35-13-8-14-38-36-11-4-7-16-43(36)50-45(35)38;1-2-10-33(11-3-1)46-47-38(31-24-20-29(21-25-31)34-14-8-18-42-44(34)36-12-4-6-16-40(36)49-42)28-39(48-46)32-26-22-30(23-27-32)35-15-9-19-43-45(35)37-13-5-7-17-41(37)50-43;1-2-8-33(9-3-1)46-47-40(31-18-14-29(15-19-31)34-22-24-44-38(26-34)36-10-4-6-12-42(36)49-44)28-41(48-46)32-20-16-30(17-21-32)35-23-25-45-39(27-35)37-11-5-7-13-43(37)50-45;1-2-8-33(9-3-1)46-47-40(31-18-14-29(15-19-31)34-22-24-38-36-10-4-6-12-42(36)49-44(38)26-34)28-41(48-46)32-20-16-30(17-21-32)35-23-25-39-37-11-5-7-13-43(37)50-45(39)27-35;1-2-9-34(10-3-1)44-45-40(32-19-14-30(15-20-32)36-23-18-29-8-4-5-11-35(29)26-36)28-41(46-44)33-21-16-31(17-22-33)37-24-25-43-39(27-37)38-12-6-7-13-42(38)47-43/h4*1-28H;1-28H.
What are the key properties of 4,6-bis(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-3-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine?
4,6-bis(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-3-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine has a molecular weight of 3308.30 g/mol, XLogP of 66.52, 25 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-3-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine is sourced from PubChem (CID 157307725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).