2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine

C178H116N8S4 — CID 159439837

IUPAC2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc6sc7ccccc7c56)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5cccc6sc7ccccc7c56)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-c5cccc6sc7ccccc7c56)cc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccc(-c6cccc7sc8ccccc8c67)cc5)n4)c3)c2)cc1
InChIInChI=1S/3C46H30N2S.C40H26N2S/c1-3-12-31(13-4-1)35-16-9-18-37(28-35)41-30-42(38-19-10-17-36(29-38)32-14-5-2-6-15-32)48-46(47-41)34-26-24-33(25-27-34)39-21-11-23-44-45(39)40-20-7-8-22-43(40)49-44;1-3-12-31(13-4-1)35-16-9-17-36(28-35)37-18-10-19-38(29-37)46-47-41(33-14-5-2-6-15-33)30-42(48-46)34-26-24-32(25-27-34)39-21-11-23-44-45(39)40-20-7-8-22-43(40)49-44;1-3-11-31(12-4-1)33-21-25-35(26-22-33)41-30-42(48-46(47-41)38-16-9-15-37(29-38)32-13-5-2-6-14-32)36-27-23-34(24-28-36)39-18-10-20-44-45(39)40-17-7-8-19-43(40)49-44;1-3-11-27(12-4-1)28-21-23-30(24-22-28)40-41-35(29-13-5-2-6-14-29)26-36(42-40)32-16-9-15-31(25-32)33-18-10-20-38-39(33)34-17-7-8-19-37(34)43-38/h3*1-30H;1-26H
InChIKeyLSAKBPJDQDOHLV-UHFFFAOYSA-N
MW2495.21 g/mol
LogP49.72
Rot. Bonds23

About 2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine

2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine (PubChem CID 159439837) has the molecular formula C178H116N8S4 and a molecular weight of 2495.21 g/mol. Its IUPAC name is 2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
PubChem CID159439837
Molecular FormulaC178H116N8S4
Molecular Weight2495.21 g/mol
Exact Mass2492.82
IUPAC Name2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc6sc7ccccc7c56)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5cccc6sc7ccccc7c56)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-c5cccc6sc7ccccc7c56)cc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccc(-c6cccc7sc8ccccc8c67)cc5)n4)c3)c2)cc1
InChIInChI=1S/3C46H30N2S.C40H26N2S/c1-3-12-31(13-4-1)35-16-9-18-37(28-35)41-30-42(38-19-10-17-36(29-38)32-14-5-2-6-15-32)48-46(47-41)34-26-24-33(25-27-34)39-21-11-23-44-45(39)40-20-7-8-22-43(40)49-44;1-3-12-31(13-4-1)35-16-9-17-36(28-35)37-18-10-19-38(29-37)46-47-41(33-14-5-2-6-15-33)30-42(48-46)34-26-24-32(25-27-34)39-21-11-23-44-45(39)40-20-7-8-22-43(40)49-44;1-3-11-31(12-4-1)33-21-25-35(26-22-33)41-30-42(48-46(47-41)38-16-9-15-37(29-38)32-13-5-2-6-14-32)36-27-23-34(24-28-36)39-18-10-20-44-45(39)40-17-7-8-19-43(40)49-44;1-3-11-27(12-4-1)28-21-23-30(24-22-28)40-41-35(29-13-5-2-6-14-29)26-36(42-40)32-16-9-15-31(25-32)33-18-10-20-38-39(33)34-17-7-8-19-37(34)43-38/h3*1-30H;1-26H
InChIKeyLSAKBPJDQDOHLV-UHFFFAOYSA-N
XLogP49.72
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002495.21
LogP ≤ 549.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine with MolForge

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Related Compounds

4,6-bis(3-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine
CID 139304929
4-(3-dibenzothiophen-1-ylphenyl)-6-(3-dibenzothiophen-1-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583431
2-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 155328619
4-(3-dibenzothiophen-1-yl-5-phenylphenyl)-6-naphthalen-2-yl-2-(3-phenylphenyl)pyrimidine
CID 171584997
2,4-diphenyl-6-[4-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine
CID 142453376
2-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942605
2-(3-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 169291118
2-(3-dibenzothiophen-1-ylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942551
2-[11-[6-(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine
CID 165151275
4-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-3-yl]-N,N-diphenylaniline
CID 169280921
6-[3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-1-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline
CID 160744200
4-(4-dibenzothiophen-1-ylphenyl)-6-[11-[6-(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine
CID 165150832

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The IUPAC name of 2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine (CID 159439837) is 2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc6sc7ccccc7c56)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5cccc6sc7ccccc7c56)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-c5cccc6sc7ccccc7c56)cc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccc(-c6cccc7sc8ccccc8c67)cc5)n4)c3)c2)cc1.
What is the InChIKey of 2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The InChIKey is LSAKBPJDQDOHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C46H30N2S.C40H26N2S/c1-3-12-31(13-4-1)35-16-9-18-37(28-35)41-30-42(38-19-10-17-36(29-38)32-14-5-2-6-15-32)48-46(47-41)34-26-24-33(25-27-34)39-21-11-23-44-45(39)40-20-7-8-22-43(40)49-44;1-3-12-31(13-4-1)35-16-9-17-36(28-35)37-18-10-19-38(29-37)46-47-41(33-14-5-2-6-15-33)30-42(48-46)34-26-24-32(25-27-34)39-21-11-23-44-45(39)40-20-7-8-22-43(40)49-44;1-3-11-31(12-4-1)33-21-25-35(26-22-33)41-30-42(48-46(47-41)38-16-9-15-37(29-38)32-13-5-2-6-14-32)36-27-23-34(24-28-36)39-18-10-20-44-45(39)40-17-7-8-19-43(40)49-44;1-3-11-27(12-4-1)28-21-23-30(24-22-28)40-41-35(29-13-5-2-6-14-29)26-36(42-40)32-16-9-15-31(25-32)33-18-10-20-38-39(33)34-17-7-8-19-37(34)43-38/h3*1-30H;1-26H.
What are the key properties of 2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine?
2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine has a molecular weight of 2495.21 g/mol, XLogP of 49.72, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 159439837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).