4,6-bis[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine

C215H134N8S7 — CID 158309232

IUPAC4,6-bis[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)cc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)n2)cc1
InChIInChI=1S/C70H40N2S4.C54H34N2S.C48H30N2S.C43H30N2S/c1-2-12-41(13-3-1)70-71-60(50-32-46(42-22-26-66-56(36-42)52-14-4-8-18-62(52)73-66)30-47(33-50)43-23-27-67-57(37-43)53-15-5-9-19-63(53)74-67)40-61(72-70)51-34-48(44-24-28-68-58(38-44)54-16-6-10-20-64(54)75-68)31-49(35-51)45-25-29-69-59(39-45)55-17-7-11-21-65(55)76-69;1-2-10-41(11-3-1)54-55-50(34-51(56-54)40-28-24-38(25-29-40)48-33-43-12-4-5-13-44(43)45-14-6-7-15-46(45)48)39-26-22-36(23-27-39)35-18-20-37(21-19-35)42-30-31-53-49(32-42)47-16-8-9-17-52(47)57-53;1-2-10-35(11-3-1)48-49-44(33-22-18-31(19-23-33)36-26-27-47-43(28-36)41-16-8-9-17-46(41)51-47)30-45(50-48)34-24-20-32(21-25-34)42-29-37-12-4-5-13-38(37)39-14-6-7-15-40(39)42;1-43(2)36-14-8-6-12-32(36)33-22-20-31(25-37(33)43)39-26-38(44-42(45-39)29-10-4-3-5-11-29)28-18-16-27(17-19-28)30-21-23-41-35(24-30)34-13-7-9-15-40(34)46-41/h1-40H;1-34H;1-30H;3-26H,1-2H3
InChIKeyGNLWQDUMBJUZRE-UHFFFAOYSA-N
MW3053.96 g/mol
LogP62.07
Rot. Bonds22

About 4,6-bis[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine

4,6-bis[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine (PubChem CID 158309232) has the molecular formula C215H134N8S7 and a molecular weight of 3053.96 g/mol. Its IUPAC name is 4,6-bis[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4,6-bis[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
PubChem CID158309232
Molecular FormulaC215H134N8S7
Molecular Weight3053.96 g/mol
Exact Mass3050.88
IUPAC Name4,6-bis[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)cc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)n2)cc1
InChIInChI=1S/C70H40N2S4.C54H34N2S.C48H30N2S.C43H30N2S/c1-2-12-41(13-3-1)70-71-60(50-32-46(42-22-26-66-56(36-42)52-14-4-8-18-62(52)73-66)30-47(33-50)43-23-27-67-57(37-43)53-15-5-9-19-63(53)74-67)40-61(72-70)51-34-48(44-24-28-68-58(38-44)54-16-6-10-20-64(54)75-68)31-49(35-51)45-25-29-69-59(39-45)55-17-7-11-21-65(55)76-69;1-2-10-41(11-3-1)54-55-50(34-51(56-54)40-28-24-38(25-29-40)48-33-43-12-4-5-13-44(43)45-14-6-7-15-46(45)48)39-26-22-36(23-27-39)35-18-20-37(21-19-35)42-30-31-53-49(32-42)47-16-8-9-17-52(47)57-53;1-2-10-35(11-3-1)48-49-44(33-22-18-31(19-23-33)36-26-27-47-43(28-36)41-16-8-9-17-46(41)51-47)30-45(50-48)34-24-20-32(21-25-34)42-29-37-12-4-5-13-38(37)39-14-6-7-15-40(39)42;1-43(2)36-14-8-6-12-32(36)33-22-20-31(25-37(33)43)39-26-38(44-42(45-39)29-10-4-3-5-11-29)28-18-16-27(17-19-28)30-21-23-41-35(24-30)34-13-7-9-15-40(34)46-41/h1-40H;1-34H;1-30H;3-26H,1-2H3
InChIKeyGNLWQDUMBJUZRE-UHFFFAOYSA-N
XLogP62.07
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003053.96
LogP ≤ 562.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4,6-bis[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine with MolForge

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Related Compounds

4,6-bis[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 160804345
4-[3-dibenzothiophen-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585075
4-[3-dibenzothiophen-2-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 171582951
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585529
4-[3-dibenzothiophen-2-yl-5-(2-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585198
4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 157448144
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidine
CID 171583556
4-[4-(7-dibenzothiophen-4-ylphenanthren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;4-[6-(3-dibenzothiophen-2-ylphenyl)naphthalen-2-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 160527853
4-(4-dibenzothiophen-2-ylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158660476
2-(3-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 158464749
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)pyrimidine
CID 171583450
4-[3-dibenzothiophen-2-yl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 171583278

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine?
The IUPAC name of 4,6-bis[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine (CID 158309232) is 4,6-bis[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4,6-bis[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine?
The canonical SMILES for 4,6-bis[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)cc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)n2)cc1.
What is the InChIKey of 4,6-bis[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine?
The InChIKey is GNLWQDUMBJUZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H40N2S4.C54H34N2S.C48H30N2S.C43H30N2S/c1-2-12-41(13-3-1)70-71-60(50-32-46(42-22-26-66-56(36-42)52-14-4-8-18-62(52)73-66)30-47(33-50)43-23-27-67-57(37-43)53-15-5-9-19-63(53)74-67)40-61(72-70)51-34-48(44-24-28-68-58(38-44)54-16-6-10-20-64(54)75-68)31-49(35-51)45-25-29-69-59(39-45)55-17-7-11-21-65(55)76-69;1-2-10-41(11-3-1)54-55-50(34-51(56-54)40-28-24-38(25-29-40)48-33-43-12-4-5-13-44(43)45-14-6-7-15-46(45)48)39-26-22-36(23-27-39)35-18-20-37(21-19-35)42-30-31-53-49(32-42)47-16-8-9-17-52(47)57-53;1-2-10-35(11-3-1)48-49-44(33-22-18-31(19-23-33)36-26-27-47-43(28-36)41-16-8-9-17-46(41)51-47)30-45(50-48)34-24-20-32(21-25-34)42-29-37-12-4-5-13-38(37)39-14-6-7-15-40(39)42;1-43(2)36-14-8-6-12-32(36)33-22-20-31(25-37(33)43)39-26-38(44-42(45-39)29-10-4-3-5-11-29)28-18-16-27(17-19-28)30-21-23-41-35(24-30)34-13-7-9-15-40(34)46-41/h1-40H;1-34H;1-30H;3-26H,1-2H3.
What are the key properties of 4,6-bis[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine?
4,6-bis[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine has a molecular weight of 3053.96 g/mol, XLogP of 62.07, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine is sourced from PubChem (CID 158309232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).