4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(3-methyl-4-pyridin-3-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenylpyrimidine;2-[4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline

C162H100N10S6 — CID 160670923

IUPAC4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(3-methyl-4-pyridin-3-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenylpyrimidine;2-[4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline
SMILESCc1cc(-c2cc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)nc(-c3ccccc3)n2)ccc1-c1cccnc1.Cc1ccncc1-c1ccc(-c2cc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)cc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C58H34N4S2.2C52H33N3S2/c1-2-9-39(10-3-1)58-61-50(36-18-16-35(17-19-36)49-25-22-38-21-20-37-11-8-28-59-56(37)57(38)60-49)34-51(62-58)44-30-42(40-23-26-54-47(32-40)45-12-4-6-14-52(45)63-54)29-43(31-44)41-24-27-55-48(33-41)46-13-5-7-15-53(46)64-55;1-32-24-36(17-20-41(32)37-12-9-23-53-31-37)46-30-47(55-52(54-46)33-10-3-2-4-11-33)40-26-38(34-18-21-50-44(28-34)42-13-5-7-15-48(42)56-50)25-39(27-40)35-19-22-51-45(29-35)43-14-6-8-16-49(43)57-51;1-32-23-24-53-31-45(32)33-15-17-34(18-16-33)46-30-47(55-52(54-46)35-9-3-2-4-10-35)40-26-38(36-19-21-50-43(28-36)41-11-5-7-13-48(41)56-50)25-39(27-40)37-20-22-51-44(29-37)42-12-6-8-14-49(42)57-51/h1-34H;2*2-31H,1H3
InChIKeyRMXNTGCOPWFNJQ-UHFFFAOYSA-N
MW2379.05 g/mol
LogP46.15
Rot. Bonds18

About 4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(3-methyl-4-pyridin-3-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenylpyrimidine;2-[4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline

4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(3-methyl-4-pyridin-3-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenylpyrimidine;2-[4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline (PubChem CID 160670923) has the molecular formula C162H100N10S6 and a molecular weight of 2379.05 g/mol. Its IUPAC name is 4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(3-methyl-4-pyridin-3-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenylpyrimidine;2-[4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(3-methyl-4-pyridin-3-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenylpyrimidine;2-[4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline
PubChem CID160670923
Molecular FormulaC162H100N10S6
Molecular Weight2379.05 g/mol
Exact Mass2376.65
IUPAC Name4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(3-methyl-4-pyridin-3-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenylpyrimidine;2-[4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline
SMILESCc1cc(-c2cc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)nc(-c3ccccc3)n2)ccc1-c1cccnc1.Cc1ccncc1-c1ccc(-c2cc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)cc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C58H34N4S2.2C52H33N3S2/c1-2-9-39(10-3-1)58-61-50(36-18-16-35(17-19-36)49-25-22-38-21-20-37-11-8-28-59-56(37)57(38)60-49)34-51(62-58)44-30-42(40-23-26-54-47(32-40)45-12-4-6-14-52(45)63-54)29-43(31-44)41-24-27-55-48(33-41)46-13-5-7-15-53(46)64-55;1-32-24-36(17-20-41(32)37-12-9-23-53-31-37)46-30-47(55-52(54-46)33-10-3-2-4-11-33)40-26-38(34-18-21-50-44(28-34)42-13-5-7-15-48(42)56-50)25-39(27-40)35-19-22-51-45(29-35)43-14-6-8-16-49(43)57-51;1-32-23-24-53-31-45(32)33-15-17-34(18-16-33)46-30-47(55-52(54-46)35-9-3-2-4-10-35)40-26-38(36-19-21-50-43(28-36)41-11-5-7-13-48(41)56-50)25-39(27-40)37-20-22-51-44(29-37)42-12-6-8-14-49(42)57-51/h1-34H;2*2-31H,1H3
InChIKeyRMXNTGCOPWFNJQ-UHFFFAOYSA-N
XLogP46.15
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002379.05
LogP ≤ 546.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(3-methyl-4-pyridin-3-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenylpyrimidine;2-[4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline with MolForge

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Related Compounds

2-[3-[6-(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 90050125
2-[3-dibenzothiophen-2-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 154954847
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171585774
4-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine;4-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;2-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 160785074
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130263335
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 90050126
2-[3-dibenzothiophen-1-yl-5-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 154954908
2-(6-dibenzothiophen-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzothiophen-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzothiophen-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline
CID 158302428
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-2-(4-pyrimidin-2-ylphenyl)pyrimidine
CID 130262505
4-(4-dibenzothiophen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;ethane
CID 145088979
2-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,10-phenanthroline
CID 146367503
4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine
CID 149414750

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(3-methyl-4-pyridin-3-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenylpyrimidine;2-[4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline?
The IUPAC name of 4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(3-methyl-4-pyridin-3-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenylpyrimidine;2-[4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline (CID 160670923) is 4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(3-methyl-4-pyridin-3-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenylpyrimidine;2-[4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline.
What is the SMILES notation for 4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(3-methyl-4-pyridin-3-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenylpyrimidine;2-[4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline?
The canonical SMILES for 4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(3-methyl-4-pyridin-3-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenylpyrimidine;2-[4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline is Cc1cc(-c2cc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)nc(-c3ccccc3)n2)ccc1-c1cccnc1.Cc1ccncc1-c1ccc(-c2cc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)cc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1.
What is the InChIKey of 4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(3-methyl-4-pyridin-3-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenylpyrimidine;2-[4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline?
The InChIKey is RMXNTGCOPWFNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4S2.2C52H33N3S2/c1-2-9-39(10-3-1)58-61-50(36-18-16-35(17-19-36)49-25-22-38-21-20-37-11-8-28-59-56(37)57(38)60-49)34-51(62-58)44-30-42(40-23-26-54-47(32-40)45-12-4-6-14-52(45)63-54)29-43(31-44)41-24-27-55-48(33-41)46-13-5-7-15-53(46)64-55;1-32-24-36(17-20-41(32)37-12-9-23-53-31-37)46-30-47(55-52(54-46)33-10-3-2-4-11-33)40-26-38(34-18-21-50-44(28-34)42-13-5-7-15-48(42)56-50)25-39(27-40)35-19-22-51-45(29-35)43-14-6-8-16-49(43)57-51;1-32-23-24-53-31-45(32)33-15-17-34(18-16-33)46-30-47(55-52(54-46)35-9-3-2-4-10-35)40-26-38(36-19-21-50-43(28-36)41-11-5-7-13-48(41)56-50)25-39(27-40)37-20-22-51-44(29-37)42-12-6-8-14-49(42)57-51/h1-34H;2*2-31H,1H3.
What are the key properties of 4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(3-methyl-4-pyridin-3-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenylpyrimidine;2-[4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline?
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(3-methyl-4-pyridin-3-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenylpyrimidine;2-[4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline has a molecular weight of 2379.05 g/mol, XLogP of 46.15, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(3-methyl-4-pyridin-3-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenylpyrimidine;2-[4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 160670923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).