4,6-diphenyl-2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyrimidine;2,4-diphenyl-6-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]-1,3,5-triazine;2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;3-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine

C176H118N8S5 — CID 157456894

IUPAC4,6-diphenyl-2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyrimidine;2,4-diphenyl-6-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]-1,3,5-triazine;2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;3-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3sc(-c4ccccc4-c4ccccc4)c4ccccc34)n2)cc1.c1ccc(-c2ccccc2-c2sc(-c3ccccc3-c3ccccn3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3ccccc3-c3cccnc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3ccccc3-c3ccncc3)c3ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3sc(-c4ccccc4-c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C42H28N2S.C41H27N3S.3C31H21NS/c1-4-16-29(17-5-1)32-22-10-11-23-33(32)40-34-24-12-13-25-35(34)41(45-40)36-26-14-15-27-37(36)42-43-38(30-18-6-2-7-19-30)28-39(44-42)31-20-8-3-9-21-31;1-4-16-28(17-5-1)31-22-10-11-23-32(31)37-33-24-12-13-25-34(33)38(45-37)35-26-14-15-27-36(35)41-43-39(29-18-6-2-7-19-29)42-40(44-41)30-20-8-3-9-21-30;1-2-12-22(13-3-1)23-14-4-6-16-25(23)30-27-18-8-9-19-28(27)31(33-30)26-17-7-5-15-24(26)29-20-10-11-21-32-29;1-2-11-22(12-3-1)24-14-4-6-16-26(24)30-28-18-8-9-19-29(28)31(33-30)27-17-7-5-15-25(27)23-13-10-20-32-21-23;1-2-10-22(11-3-1)24-12-4-6-14-26(24)30-28-16-8-9-17-29(28)31(33-30)27-15-7-5-13-25(27)23-18-20-32-21-19-23/h1-28H;1-27H;3*1-21H
InChIKeyBTLUSCVATBFGRK-UHFFFAOYSA-N
MW2505.27 g/mol
LogP49.67
Rot. Bonds24

About 4,6-diphenyl-2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyrimidine;2,4-diphenyl-6-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]-1,3,5-triazine;2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;3-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine

4,6-diphenyl-2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyrimidine;2,4-diphenyl-6-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]-1,3,5-triazine;2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;3-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine (PubChem CID 157456894) has the molecular formula C176H118N8S5 and a molecular weight of 2505.27 g/mol. Its IUPAC name is 4,6-diphenyl-2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyrimidine;2,4-diphenyl-6-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]-1,3,5-triazine;2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;3-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine.

Molecular Properties

Compound Name4,6-diphenyl-2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyrimidine;2,4-diphenyl-6-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]-1,3,5-triazine;2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;3-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine
PubChem CID157456894
Molecular FormulaC176H118N8S5
Molecular Weight2505.27 g/mol
Exact Mass2502.81
IUPAC Name4,6-diphenyl-2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyrimidine;2,4-diphenyl-6-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]-1,3,5-triazine;2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;3-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3sc(-c4ccccc4-c4ccccc4)c4ccccc34)n2)cc1.c1ccc(-c2ccccc2-c2sc(-c3ccccc3-c3ccccn3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3ccccc3-c3cccnc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3ccccc3-c3ccncc3)c3ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3sc(-c4ccccc4-c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C42H28N2S.C41H27N3S.3C31H21NS/c1-4-16-29(17-5-1)32-22-10-11-23-33(32)40-34-24-12-13-25-35(34)41(45-40)36-26-14-15-27-37(36)42-43-38(30-18-6-2-7-19-30)28-39(44-42)31-20-8-3-9-21-31;1-4-16-28(17-5-1)31-22-10-11-23-32(31)37-33-24-12-13-25-34(33)38(45-37)35-26-14-15-27-36(35)41-43-39(29-18-6-2-7-19-29)42-40(44-41)30-20-8-3-9-21-30;1-2-12-22(13-3-1)23-14-4-6-16-25(23)30-27-18-8-9-19-28(27)31(33-30)26-17-7-5-15-24(26)29-20-10-11-21-32-29;1-2-11-22(12-3-1)24-14-4-6-16-26(24)30-28-18-8-9-19-29(28)31(33-30)27-17-7-5-15-25(27)23-13-10-20-32-21-23;1-2-10-22(11-3-1)24-12-4-6-14-26(24)30-28-16-8-9-17-29(28)31(33-30)27-15-7-5-13-25(27)23-18-20-32-21-19-23/h1-28H;1-27H;3*1-21H
InChIKeyBTLUSCVATBFGRK-UHFFFAOYSA-N
XLogP49.67
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002505.27
LogP ≤ 549.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 4,6-diphenyl-2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyrimidine;2,4-diphenyl-6-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]-1,3,5-triazine;2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;3-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine with MolForge

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Related Compounds

4-[3,5-Di(dibenzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 130261969
2-[3,5-Di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262146
4-[3,5-Di(dibenzothiophen-2-yl)phenyl]-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262712
4-[3,5-Di(dibenzothiophen-2-yl)phenyl]-6-(4-fluorophenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130262716
2-[3,5-Di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130263208
4-[3,5-Di(dibenzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130263346
CID 157161135
CID 157161135
4-Dibenzothiophen-2-yl-2-[4-[3-[6-dibenzothiophen-2-yl-2-[5-[3-[3-[6-dibenzothiophen-2-yl-2-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-pyridin-3-ylphenyl]pyrimidin-4-yl]fluoranthen-8-yl]-2-pyridin-3-ylphenyl]-6-(4-fluorophenyl)pyrimidine
CID 164111847
2-Phenyl-4,6-bis[6-[2-phenyl-6-(4-propylsulfanyl-6-pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]-4-propylsulfanyl-2-pyridinyl]pyrimidine
CID 101233286
5-Pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole
CID 58058968
8-[4,6-Bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58058978
4-[3-[4,6-Bis[3-[8-[8-(3-pyrimidin-4-yl-2-pyridinyl)pyrido[4,3-b]indol-5-yl]dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-12-(3-pyrimidin-4-yl-2-pyridinyl)-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099619

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyrimidine;2,4-diphenyl-6-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]-1,3,5-triazine;2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;3-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine?
The IUPAC name of 4,6-diphenyl-2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyrimidine;2,4-diphenyl-6-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]-1,3,5-triazine;2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;3-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine (CID 157456894) is 4,6-diphenyl-2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyrimidine;2,4-diphenyl-6-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]-1,3,5-triazine;2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;3-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine.
What is the SMILES notation for 4,6-diphenyl-2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyrimidine;2,4-diphenyl-6-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]-1,3,5-triazine;2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;3-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine?
The canonical SMILES for 4,6-diphenyl-2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyrimidine;2,4-diphenyl-6-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]-1,3,5-triazine;2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;3-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3sc(-c4ccccc4-c4ccccc4)c4ccccc34)n2)cc1.c1ccc(-c2ccccc2-c2sc(-c3ccccc3-c3ccccn3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3ccccc3-c3cccnc3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2sc(-c3ccccc3-c3ccncc3)c3ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3sc(-c4ccccc4-c4ccccc4)c4ccccc34)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyrimidine;2,4-diphenyl-6-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]-1,3,5-triazine;2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;3-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine?
The InChIKey is BTLUSCVATBFGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2S.C41H27N3S.3C31H21NS/c1-4-16-29(17-5-1)32-22-10-11-23-33(32)40-34-24-12-13-25-35(34)41(45-40)36-26-14-15-27-37(36)42-43-38(30-18-6-2-7-19-30)28-39(44-42)31-20-8-3-9-21-31;1-4-16-28(17-5-1)31-22-10-11-23-32(31)37-33-24-12-13-25-34(33)38(45-37)35-26-14-15-27-36(35)41-43-39(29-18-6-2-7-19-29)42-40(44-41)30-20-8-3-9-21-30;1-2-12-22(13-3-1)23-14-4-6-16-25(23)30-27-18-8-9-19-28(27)31(33-30)26-17-7-5-15-24(26)29-20-10-11-21-32-29;1-2-11-22(12-3-1)24-14-4-6-16-26(24)30-28-18-8-9-19-29(28)31(33-30)27-17-7-5-15-25(27)23-13-10-20-32-21-23;1-2-10-22(11-3-1)24-12-4-6-14-26(24)30-28-16-8-9-17-29(28)31(33-30)27-15-7-5-13-25(27)23-18-20-32-21-19-23/h1-28H;1-27H;3*1-21H.
What are the key properties of 4,6-diphenyl-2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyrimidine;2,4-diphenyl-6-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]-1,3,5-triazine;2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;3-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine?
4,6-diphenyl-2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyrimidine;2,4-diphenyl-6-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]-1,3,5-triazine;2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;3-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine has a molecular weight of 2505.27 g/mol, XLogP of 49.67, 24 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyrimidine;2,4-diphenyl-6-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]-1,3,5-triazine;2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;3-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine is sourced from PubChem (CID 157456894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).