2-[5-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-pyridinyl]-4-phenyl-6-pyridin-2-ylpyridine;2-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]dibenzothiophene 5,5-dioxide

C90H58N6O2S2 — CID 165075410

IUPAC2-[5-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-pyridinyl]-4-phenyl-6-pyridin-2-ylpyridine;2-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2cc(-c3ccc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccn7)n6)nc5)cc4)cc3)ccc21.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccc(-c4ccc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)cc4)cn3)c2)cc1
InChIInChI=1S/C45H29N3O2S.C45H29N3S/c49-51(50)44-12-5-4-10-38(44)39-26-35(22-24-45(39)51)33-17-13-31(14-18-33)32-15-19-34(20-16-32)36-21-23-41(47-29-36)43-28-37(30-8-2-1-3-9-30)27-42(48-43)40-11-6-7-25-46-40;1-2-8-30(9-3-1)37-27-42(40-11-6-7-25-46-40)48-43(28-37)41-23-21-36(29-47-41)34-19-15-32(16-20-34)31-13-17-33(18-14-31)35-22-24-45-39(26-35)38-10-4-5-12-44(38)49-45/h1-29H;1-29H
InChIKeyUFMQWFOTOWPYBE-UHFFFAOYSA-N
MW1319.63 g/mol
LogP22.93
Rot. Bonds12

About 2-[5-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-pyridinyl]-4-phenyl-6-pyridin-2-ylpyridine;2-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]dibenzothiophene 5,5-dioxide

2-[5-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-pyridinyl]-4-phenyl-6-pyridin-2-ylpyridine;2-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]dibenzothiophene 5,5-dioxide (PubChem CID 165075410) has the molecular formula C90H58N6O2S2 and a molecular weight of 1319.63 g/mol. Its IUPAC name is 2-[5-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-pyridinyl]-4-phenyl-6-pyridin-2-ylpyridine;2-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]dibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name2-[5-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-pyridinyl]-4-phenyl-6-pyridin-2-ylpyridine;2-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]dibenzothiophene 5,5-dioxide
PubChem CID165075410
Molecular FormulaC90H58N6O2S2
Molecular Weight1319.63 g/mol
Exact Mass1318.41
IUPAC Name2-[5-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-pyridinyl]-4-phenyl-6-pyridin-2-ylpyridine;2-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2cc(-c3ccc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccn7)n6)nc5)cc4)cc3)ccc21.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccc(-c4ccc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)cc4)cn3)c2)cc1
InChIInChI=1S/C45H29N3O2S.C45H29N3S/c49-51(50)44-12-5-4-10-38(44)39-26-35(22-24-45(39)51)33-17-13-31(14-18-33)32-15-19-34(20-16-32)36-21-23-41(47-29-36)43-28-37(30-8-2-1-3-9-30)27-42(48-43)40-11-6-7-25-46-40;1-2-8-30(9-3-1)37-27-42(40-11-6-7-25-46-40)48-43(28-37)41-23-21-36(29-47-41)34-19-15-32(16-20-34)31-13-17-33(18-14-31)35-22-24-45-39(26-35)38-10-4-5-12-44(38)49-45/h1-29H;1-29H
InChIKeyUFMQWFOTOWPYBE-UHFFFAOYSA-N
XLogP22.93
TPSA111.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001319.63
LogP ≤ 522.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[5-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-pyridinyl]-4-phenyl-6-pyridin-2-ylpyridine;2-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]dibenzothiophene 5,5-dioxide with MolForge

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Related Compounds

2-(5-dibenzothiophen-3-yl-2-pyridinyl)-4-phenyl-6-pyridin-2-ylpyridine
CID 164817004
2-phenyl-4-(4-phenylphenyl)-6-[8-(6-pyridin-2-yl-3-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine
CID 134380771
5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 153187941
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 130263187
2-(4-dibenzothiophen-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(4-phenanthren-2-ylphenyl)-6-phenylpyridine
CID 159041263
4-(4-dibenzothiophen-2-ylphenyl)-2-[4-[4-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-phenylpyrimidine
CID 130270435
2,6-dipyridin-2-yl-4-[4-[3-pyridin-2-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyridine
CID 126730919
9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole
CID 164817113
2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 165075170
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 130263179
2-[4-[4-[6-(4-naphthalen-1-yl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 164816946
8-(4-phenylphenyl)-1-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]dibenzothiophene 5,5-dioxide
CID 169131680

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-pyridinyl]-4-phenyl-6-pyridin-2-ylpyridine;2-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]dibenzothiophene 5,5-dioxide?
The IUPAC name of 2-[5-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-pyridinyl]-4-phenyl-6-pyridin-2-ylpyridine;2-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]dibenzothiophene 5,5-dioxide (CID 165075410) is 2-[5-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-pyridinyl]-4-phenyl-6-pyridin-2-ylpyridine;2-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]dibenzothiophene 5,5-dioxide.
What is the SMILES notation for 2-[5-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-pyridinyl]-4-phenyl-6-pyridin-2-ylpyridine;2-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]dibenzothiophene 5,5-dioxide?
The canonical SMILES for 2-[5-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-pyridinyl]-4-phenyl-6-pyridin-2-ylpyridine;2-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]dibenzothiophene 5,5-dioxide is O=S1(=O)c2ccccc2-c2cc(-c3ccc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccn7)n6)nc5)cc4)cc3)ccc21.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccc(-c4ccc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)cc4)cn3)c2)cc1.
What is the InChIKey of 2-[5-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-pyridinyl]-4-phenyl-6-pyridin-2-ylpyridine;2-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]dibenzothiophene 5,5-dioxide?
The InChIKey is UFMQWFOTOWPYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O2S.C45H29N3S/c49-51(50)44-12-5-4-10-38(44)39-26-35(22-24-45(39)51)33-17-13-31(14-18-33)32-15-19-34(20-16-32)36-21-23-41(47-29-36)43-28-37(30-8-2-1-3-9-30)27-42(48-43)40-11-6-7-25-46-40;1-2-8-30(9-3-1)37-27-42(40-11-6-7-25-46-40)48-43(28-37)41-23-21-36(29-47-41)34-19-15-32(16-20-34)31-13-17-33(18-14-31)35-22-24-45-39(26-35)38-10-4-5-12-44(38)49-45/h1-29H;1-29H.
What are the key properties of 2-[5-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-pyridinyl]-4-phenyl-6-pyridin-2-ylpyridine;2-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]dibenzothiophene 5,5-dioxide?
2-[5-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-pyridinyl]-4-phenyl-6-pyridin-2-ylpyridine;2-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]dibenzothiophene 5,5-dioxide has a molecular weight of 1319.63 g/mol, XLogP of 22.93, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-pyridinyl]-4-phenyl-6-pyridin-2-ylpyridine;2-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]dibenzothiophene 5,5-dioxide is sourced from PubChem (CID 165075410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).