4,6-di(dibenzothiophen-3-yl)-2-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)pyrimidine

C132H80N6S6 — CID 160702038

IUPAC4,6-di(dibenzothiophen-3-yl)-2-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc5c(c4)sc4ccccc45)cc(-c4ccc5c(c4)sc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)sc4ccccc45)nc(-c4ccc5c(c4)sc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4cc(-c5ccc6c(c5)sc5ccccc56)nc(-c5ccc6c(c5)sc5ccccc56)n4)c3)c2)cc1
InChIInChI=1S/2C46H28N2S2.C40H24N2S2/c1-3-11-29(12-4-1)33-23-34(30-13-5-2-6-14-30)25-35(24-33)46-47-40(31-19-21-38-36-15-7-9-17-42(36)49-44(38)26-31)28-41(48-46)32-20-22-39-37-16-8-10-18-43(37)50-45(39)27-32;1-2-10-29(11-3-1)30-12-8-13-31(24-30)32-14-9-15-33(25-32)40-28-41(34-20-22-38-36-16-4-6-18-42(36)49-44(38)26-34)48-46(47-40)35-21-23-39-37-17-5-7-19-43(37)50-45(39)27-35;1-2-9-25(10-3-1)26-11-8-12-27(21-26)34-24-35(28-17-19-32-30-13-4-6-15-36(30)43-38(32)22-28)42-40(41-34)29-18-20-33-31-14-5-7-16-37(31)44-39(33)23-29/h2*1-28H;1-24H
InChIKeyRQSXYUUKMOUUDP-UHFFFAOYSA-N
MW1942.54 g/mol
LogP38.98
Rot. Bonds14

About 4,6-di(dibenzothiophen-3-yl)-2-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)pyrimidine

4,6-di(dibenzothiophen-3-yl)-2-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)pyrimidine (PubChem CID 160702038) has the molecular formula C132H80N6S6 and a molecular weight of 1942.54 g/mol. Its IUPAC name is 4,6-di(dibenzothiophen-3-yl)-2-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-di(dibenzothiophen-3-yl)-2-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)pyrimidine
PubChem CID160702038
Molecular FormulaC132H80N6S6
Molecular Weight1942.54 g/mol
Exact Mass1940.48
IUPAC Name4,6-di(dibenzothiophen-3-yl)-2-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc5c(c4)sc4ccccc45)cc(-c4ccc5c(c4)sc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)sc4ccccc45)nc(-c4ccc5c(c4)sc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4cc(-c5ccc6c(c5)sc5ccccc56)nc(-c5ccc6c(c5)sc5ccccc56)n4)c3)c2)cc1
InChIInChI=1S/2C46H28N2S2.C40H24N2S2/c1-3-11-29(12-4-1)33-23-34(30-13-5-2-6-14-30)25-35(24-33)46-47-40(31-19-21-38-36-15-7-9-17-42(36)49-44(38)26-31)28-41(48-46)32-20-22-39-37-16-8-10-18-43(37)50-45(39)27-32;1-2-10-29(11-3-1)30-12-8-13-31(24-30)32-14-9-15-33(25-32)40-28-41(34-20-22-38-36-16-4-6-18-42(36)49-44(38)26-34)48-46(47-40)35-21-23-39-37-17-5-7-19-43(37)50-45(39)27-35;1-2-9-25(10-3-1)26-11-8-12-27(21-26)34-24-35(28-17-19-32-30-13-4-6-15-36(30)43-38(32)22-28)42-40(41-34)29-18-20-33-31-14-5-7-16-37(31)44-39(33)23-29/h2*1-28H;1-24H
InChIKeyRQSXYUUKMOUUDP-UHFFFAOYSA-N
XLogP38.98
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001942.54
LogP ≤ 538.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4,6-di(dibenzothiophen-3-yl)-2-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-di(dibenzothiophen-3-yl)-2-[3-(4-phenylphenyl)phenyl]pyrimidine
CID 138613712
2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 138613719
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 171583543
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 171584552
2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 138613779
2,4-di(dibenzothiophen-3-yl)-6-(3-naphthalen-2-yl-5-phenylphenyl)pyrimidine
CID 138729846
4,6-di(dibenzofuran-3-yl)-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzofuran-3-yl)-2-(3-phenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 160781229
2-dibenzothiophen-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 138659637
4-(4-dibenzothiophen-3-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 164848878
2-(4-dibenzothiophen-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850210
2,4-di(dibenzofuran-3-yl)-6-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzothiophen-3-yl)-2-(3-phenylphenyl)pyrimidine
CID 158713943
2-dibenzothiophen-3-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 138654698

Frequently Asked Questions

What is the IUPAC name of 4,6-di(dibenzothiophen-3-yl)-2-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)pyrimidine?
The IUPAC name of 4,6-di(dibenzothiophen-3-yl)-2-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)pyrimidine (CID 160702038) is 4,6-di(dibenzothiophen-3-yl)-2-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 4,6-di(dibenzothiophen-3-yl)-2-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 4,6-di(dibenzothiophen-3-yl)-2-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc5c(c4)sc4ccccc45)cc(-c4ccc5c(c4)sc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)sc4ccccc45)nc(-c4ccc5c(c4)sc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4cc(-c5ccc6c(c5)sc5ccccc56)nc(-c5ccc6c(c5)sc5ccccc56)n4)c3)c2)cc1.
What is the InChIKey of 4,6-di(dibenzothiophen-3-yl)-2-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)pyrimidine?
The InChIKey is RQSXYUUKMOUUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H28N2S2.C40H24N2S2/c1-3-11-29(12-4-1)33-23-34(30-13-5-2-6-14-30)25-35(24-33)46-47-40(31-19-21-38-36-15-7-9-17-42(36)49-44(38)26-31)28-41(48-46)32-20-22-39-37-16-8-10-18-43(37)50-45(39)27-32;1-2-10-29(11-3-1)30-12-8-13-31(24-30)32-14-9-15-33(25-32)40-28-41(34-20-22-38-36-16-4-6-18-42(36)49-44(38)26-34)48-46(47-40)35-21-23-39-37-17-5-7-19-43(37)50-45(39)27-35;1-2-9-25(10-3-1)26-11-8-12-27(21-26)34-24-35(28-17-19-32-30-13-4-6-15-36(30)43-38(32)22-28)42-40(41-34)29-18-20-33-31-14-5-7-16-37(31)44-39(33)23-29/h2*1-28H;1-24H.
What are the key properties of 4,6-di(dibenzothiophen-3-yl)-2-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)pyrimidine?
4,6-di(dibenzothiophen-3-yl)-2-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)pyrimidine has a molecular weight of 1942.54 g/mol, XLogP of 38.98, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(dibenzothiophen-3-yl)-2-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 160702038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).