2,5-dimethyl-1-phenyl-4-(2-phenylthiophen-3-yl)imidazole;2-[3-(4-fluorophenyl)naphthalen-2-yl]pyridine;2-[2-(2-isocyanophenyl)phenyl]-3-methylpyridine;2-[3-(4-methoxyphenyl)naphthalen-2-yl]pyridine;2-[3-(4-methylphenyl)naphthalen-2-yl]pyridine;3-methyl-2-[2-(4-phenylphenyl)phenyl]pyridine;10-naphthalen-2-ylbenzo[h]quinoline;4-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-amine;2-(2,3,4,5,6-pentapyridin-2-ylphenyl)pyridine;2-(2-pyridin-2-ylphenyl)pyridine

C254H183FN18OS — CID 158623887

IUPAC2,5-dimethyl-1-phenyl-4-(2-phenylthiophen-3-yl)imidazole;2-[3-(4-fluorophenyl)naphthalen-2-yl]pyridine;2-[2-(2-isocyanophenyl)phenyl]-3-methylpyridine;2-[3-(4-methoxyphenyl)naphthalen-2-yl]pyridine;2-[3-(4-methylphenyl)naphthalen-2-yl]pyridine;3-methyl-2-[2-(4-phenylphenyl)phenyl]pyridine;10-naphthalen-2-ylbenzo[h]quinoline;4-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-amine;2-(2,3,4,5,6-pentapyridin-2-ylphenyl)pyridine;2-(2-pyridin-2-ylphenyl)pyridine
SMILESCOc1ccc(-c2cc3ccccc3cc2-c2ccccn2)cc1.Cc1ccc(-c2cc3ccccc3cc2-c2ccccn2)cc1.Cc1cccnc1-c1ccccc1-c1ccc(-c2ccccc2)cc1.Cc1nc(-c2ccsc2-c2ccccc2)c(C)n1-c1ccccc1.Fc1ccc(-c2cc3ccccc3cc2-c2ccccn2)cc1.[C-]#[N+]c1ccccc1-c1ccccc1-c1ncccc1C.c1ccc(-c2c(-c3ccccn3)c(-c3ccccn3)c(-c3ccccn3)c(-c3ccccn3)c2-c2ccccn2)nc1.c1ccc(-c2ccccc2-c2ccccn2)nc1.c1ccc2cc(-c3cccc4ccc5cccnc5c34)ccc2c1.c1ccc2cc(N(c3ccc(-c4cccc5ccccc45)c4ccccc34)c3ccc(-c4cccc5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C50H33N.C36H24N6.C24H19N.C23H15N.C22H17NO.C22H17N.C21H14FN.C21H18N2S.C19H14N2.C16H12N2/c1-2-16-37-33-38(28-27-34(37)13-1)51(49-31-29-45(43-21-7-9-23-47(43)49)41-25-11-17-35-14-3-5-19-39(35)41)50-32-30-46(44-22-8-10-24-48(44)50)42-26-12-18-36-15-4-6-20-40(36)42;1-7-19-37-25(13-1)31-32(26-14-2-8-20-38-26)34(28-16-4-10-22-40-28)36(30-18-6-12-24-42-30)35(29-17-5-11-23-41-29)33(31)27-15-3-9-21-39-27;1-18-8-7-17-25-24(18)23-12-6-5-11-22(23)21-15-13-20(14-16-21)19-9-3-2-4-10-19;1-2-6-19-15-20(13-10-16(19)5-1)21-9-3-7-17-11-12-18-8-4-14-24-23(18)22(17)21;1-24-19-11-9-16(10-12-19)20-14-17-6-2-3-7-18(17)15-21(20)22-8-4-5-13-23-22;1-16-9-11-17(12-10-16)20-14-18-6-2-3-7-19(18)15-21(20)22-8-4-5-13-23-22;22-18-10-8-15(9-11-18)19-13-16-5-1-2-6-17(16)14-20(19)21-7-3-4-12-23-21;1-15-20(22-16(2)23(15)18-11-7-4-8-12-18)19-13-14-24-21(19)17-9-5-3-6-10-17;1-14-8-7-13-21-19(14)17-11-4-3-9-15(17)16-10-5-6-12-18(16)20-2;1-2-8-14(16-10-4-6-12-18-16)13(7-1)15-9-3-5-11-17-15/h1-33H;1-24H;2-17H,1H3;1-15H;2-15H,1H3;2-15H,1H3;1-14H;3-14H,1-2H3;3-13H,1H3;1-12H
InChIKeyHYINQTIURWNQGU-UHFFFAOYSA-N
MW3554.45 g/mol
LogP67.05
Rot. Bonds29

About 2,5-dimethyl-1-phenyl-4-(2-phenylthiophen-3-yl)imidazole;2-[3-(4-fluorophenyl)naphthalen-2-yl]pyridine;2-[2-(2-isocyanophenyl)phenyl]-3-methylpyridine;2-[3-(4-methoxyphenyl)naphthalen-2-yl]pyridine;2-[3-(4-methylphenyl)naphthalen-2-yl]pyridine;3-methyl-2-[2-(4-phenylphenyl)phenyl]pyridine;10-naphthalen-2-ylbenzo[h]quinoline;4-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-amine;2-(2,3,4,5,6-pentapyridin-2-ylphenyl)pyridine;2-(2-pyridin-2-ylphenyl)pyridine

2,5-dimethyl-1-phenyl-4-(2-phenylthiophen-3-yl)imidazole;2-[3-(4-fluorophenyl)naphthalen-2-yl]pyridine;2-[2-(2-isocyanophenyl)phenyl]-3-methylpyridine;2-[3-(4-methoxyphenyl)naphthalen-2-yl]pyridine;2-[3-(4-methylphenyl)naphthalen-2-yl]pyridine;3-methyl-2-[2-(4-phenylphenyl)phenyl]pyridine;10-naphthalen-2-ylbenzo[h]quinoline;4-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-amine;2-(2,3,4,5,6-pentapyridin-2-ylphenyl)pyridine;2-(2-pyridin-2-ylphenyl)pyridine (PubChem CID 158623887) has the molecular formula C254H183FN18OS and a molecular weight of 3554.45 g/mol. Its IUPAC name is 2,5-dimethyl-1-phenyl-4-(2-phenylthiophen-3-yl)imidazole;2-[3-(4-fluorophenyl)naphthalen-2-yl]pyridine;2-[2-(2-isocyanophenyl)phenyl]-3-methylpyridine;2-[3-(4-methoxyphenyl)naphthalen-2-yl]pyridine;2-[3-(4-methylphenyl)naphthalen-2-yl]pyridine;3-methyl-2-[2-(4-phenylphenyl)phenyl]pyridine;10-naphthalen-2-ylbenzo[h]quinoline;4-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-amine;2-(2,3,4,5,6-pentapyridin-2-ylphenyl)pyridine;2-(2-pyridin-2-ylphenyl)pyridine.

Molecular Properties

Compound Name2,5-dimethyl-1-phenyl-4-(2-phenylthiophen-3-yl)imidazole;2-[3-(4-fluorophenyl)naphthalen-2-yl]pyridine;2-[2-(2-isocyanophenyl)phenyl]-3-methylpyridine;2-[3-(4-methoxyphenyl)naphthalen-2-yl]pyridine;2-[3-(4-methylphenyl)naphthalen-2-yl]pyridine;3-methyl-2-[2-(4-phenylphenyl)phenyl]pyridine;10-naphthalen-2-ylbenzo[h]quinoline;4-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-amine;2-(2,3,4,5,6-pentapyridin-2-ylphenyl)pyridine;2-(2-pyridin-2-ylphenyl)pyridine
PubChem CID158623887
Molecular FormulaC254H183FN18OS
Molecular Weight3554.45 g/mol
Exact Mass3551.45
IUPAC Name2,5-dimethyl-1-phenyl-4-(2-phenylthiophen-3-yl)imidazole;2-[3-(4-fluorophenyl)naphthalen-2-yl]pyridine;2-[2-(2-isocyanophenyl)phenyl]-3-methylpyridine;2-[3-(4-methoxyphenyl)naphthalen-2-yl]pyridine;2-[3-(4-methylphenyl)naphthalen-2-yl]pyridine;3-methyl-2-[2-(4-phenylphenyl)phenyl]pyridine;10-naphthalen-2-ylbenzo[h]quinoline;4-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-amine;2-(2,3,4,5,6-pentapyridin-2-ylphenyl)pyridine;2-(2-pyridin-2-ylphenyl)pyridine
SMILESCOc1ccc(-c2cc3ccccc3cc2-c2ccccn2)cc1.Cc1ccc(-c2cc3ccccc3cc2-c2ccccn2)cc1.Cc1cccnc1-c1ccccc1-c1ccc(-c2ccccc2)cc1.Cc1nc(-c2ccsc2-c2ccccc2)c(C)n1-c1ccccc1.Fc1ccc(-c2cc3ccccc3cc2-c2ccccn2)cc1.[C-]#[N+]c1ccccc1-c1ccccc1-c1ncccc1C.c1ccc(-c2c(-c3ccccn3)c(-c3ccccn3)c(-c3ccccn3)c(-c3ccccn3)c2-c2ccccn2)nc1.c1ccc(-c2ccccc2-c2ccccn2)nc1.c1ccc2cc(-c3cccc4ccc5cccnc5c34)ccc2c1.c1ccc2cc(N(c3ccc(-c4cccc5ccccc45)c4ccccc34)c3ccc(-c4cccc5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C50H33N.C36H24N6.C24H19N.C23H15N.C22H17NO.C22H17N.C21H14FN.C21H18N2S.C19H14N2.C16H12N2/c1-2-16-37-33-38(28-27-34(37)13-1)51(49-31-29-45(43-21-7-9-23-47(43)49)41-25-11-17-35-14-3-5-19-39(35)41)50-32-30-46(44-22-8-10-24-48(44)50)42-26-12-18-36-15-4-6-20-40(36)42;1-7-19-37-25(13-1)31-32(26-14-2-8-20-38-26)34(28-16-4-10-22-40-28)36(30-18-6-12-24-42-30)35(29-17-5-11-23-41-29)33(31)27-15-3-9-21-39-27;1-18-8-7-17-25-24(18)23-12-6-5-11-22(23)21-15-13-20(14-16-21)19-9-3-2-4-10-19;1-2-6-19-15-20(13-10-16(19)5-1)21-9-3-7-17-11-12-18-8-4-14-24-23(18)22(17)21;1-24-19-11-9-16(10-12-19)20-14-17-6-2-3-7-18(17)15-21(20)22-8-4-5-13-23-22;1-16-9-11-17(12-10-16)20-14-18-6-2-3-7-19(18)15-21(20)22-8-4-5-13-23-22;22-18-10-8-15(9-11-18)19-13-16-5-1-2-6-17(16)14-20(19)21-7-3-4-12-23-21;1-15-20(22-16(2)23(15)18-11-7-4-8-12-18)19-13-14-24-21(19)17-9-5-3-6-10-17;1-14-8-7-13-21-19(14)17-11-4-3-9-15(17)16-10-5-6-12-18(16)20-2;1-2-8-14(16-10-4-6-12-18-16)13(7-1)15-9-3-5-11-17-15/h1-33H;1-24H;2-17H,1H3;1-15H;2-15H,1H3;2-15H,1H3;1-14H;3-14H,1-2H3;3-13H,1H3;1-12H
InChIKeyHYINQTIURWNQGU-UHFFFAOYSA-N
XLogP67.05
TPSA215.11 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds29
Heavy Atoms275
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003554.45
LogP ≤ 567.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-1-phenyl-4-(2-phenylthiophen-3-yl)imidazole;2-[3-(4-fluorophenyl)naphthalen-2-yl]pyridine;2-[2-(2-isocyanophenyl)phenyl]-3-methylpyridine;2-[3-(4-methoxyphenyl)naphthalen-2-yl]pyridine;2-[3-(4-methylphenyl)naphthalen-2-yl]pyridine;3-methyl-2-[2-(4-phenylphenyl)phenyl]pyridine;10-naphthalen-2-ylbenzo[h]quinoline;4-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-amine;2-(2,3,4,5,6-pentapyridin-2-ylphenyl)pyridine;2-(2-pyridin-2-ylphenyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-phenyl-4-(2-phenylthiophen-3-yl)imidazole;2-[3-(4-fluorophenyl)naphthalen-2-yl]pyridine;2-[2-(2-isocyanophenyl)phenyl]-3-methylpyridine;2-[3-(4-methoxyphenyl)naphthalen-2-yl]pyridine;2-[3-(4-methylphenyl)naphthalen-2-yl]pyridine;3-methyl-2-[2-(4-phenylphenyl)phenyl]pyridine;10-naphthalen-2-ylbenzo[h]quinoline;4-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-amine;2-(2,3,4,5,6-pentapyridin-2-ylphenyl)pyridine;2-(2-pyridin-2-ylphenyl)pyridine?
The IUPAC name of 2,5-dimethyl-1-phenyl-4-(2-phenylthiophen-3-yl)imidazole;2-[3-(4-fluorophenyl)naphthalen-2-yl]pyridine;2-[2-(2-isocyanophenyl)phenyl]-3-methylpyridine;2-[3-(4-methoxyphenyl)naphthalen-2-yl]pyridine;2-[3-(4-methylphenyl)naphthalen-2-yl]pyridine;3-methyl-2-[2-(4-phenylphenyl)phenyl]pyridine;10-naphthalen-2-ylbenzo[h]quinoline;4-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-amine;2-(2,3,4,5,6-pentapyridin-2-ylphenyl)pyridine;2-(2-pyridin-2-ylphenyl)pyridine (CID 158623887) is 2,5-dimethyl-1-phenyl-4-(2-phenylthiophen-3-yl)imidazole;2-[3-(4-fluorophenyl)naphthalen-2-yl]pyridine;2-[2-(2-isocyanophenyl)phenyl]-3-methylpyridine;2-[3-(4-methoxyphenyl)naphthalen-2-yl]pyridine;2-[3-(4-methylphenyl)naphthalen-2-yl]pyridine;3-methyl-2-[2-(4-phenylphenyl)phenyl]pyridine;10-naphthalen-2-ylbenzo[h]quinoline;4-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-amine;2-(2,3,4,5,6-pentapyridin-2-ylphenyl)pyridine;2-(2-pyridin-2-ylphenyl)pyridine.
What is the SMILES notation for 2,5-dimethyl-1-phenyl-4-(2-phenylthiophen-3-yl)imidazole;2-[3-(4-fluorophenyl)naphthalen-2-yl]pyridine;2-[2-(2-isocyanophenyl)phenyl]-3-methylpyridine;2-[3-(4-methoxyphenyl)naphthalen-2-yl]pyridine;2-[3-(4-methylphenyl)naphthalen-2-yl]pyridine;3-methyl-2-[2-(4-phenylphenyl)phenyl]pyridine;10-naphthalen-2-ylbenzo[h]quinoline;4-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-amine;2-(2,3,4,5,6-pentapyridin-2-ylphenyl)pyridine;2-(2-pyridin-2-ylphenyl)pyridine?
The canonical SMILES for 2,5-dimethyl-1-phenyl-4-(2-phenylthiophen-3-yl)imidazole;2-[3-(4-fluorophenyl)naphthalen-2-yl]pyridine;2-[2-(2-isocyanophenyl)phenyl]-3-methylpyridine;2-[3-(4-methoxyphenyl)naphthalen-2-yl]pyridine;2-[3-(4-methylphenyl)naphthalen-2-yl]pyridine;3-methyl-2-[2-(4-phenylphenyl)phenyl]pyridine;10-naphthalen-2-ylbenzo[h]quinoline;4-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-amine;2-(2,3,4,5,6-pentapyridin-2-ylphenyl)pyridine;2-(2-pyridin-2-ylphenyl)pyridine is COc1ccc(-c2cc3ccccc3cc2-c2ccccn2)cc1.Cc1ccc(-c2cc3ccccc3cc2-c2ccccn2)cc1.Cc1cccnc1-c1ccccc1-c1ccc(-c2ccccc2)cc1.Cc1nc(-c2ccsc2-c2ccccc2)c(C)n1-c1ccccc1.Fc1ccc(-c2cc3ccccc3cc2-c2ccccn2)cc1.[C-]#[N+]c1ccccc1-c1ccccc1-c1ncccc1C.c1ccc(-c2c(-c3ccccn3)c(-c3ccccn3)c(-c3ccccn3)c(-c3ccccn3)c2-c2ccccn2)nc1.c1ccc(-c2ccccc2-c2ccccn2)nc1.c1ccc2cc(-c3cccc4ccc5cccnc5c34)ccc2c1.c1ccc2cc(N(c3ccc(-c4cccc5ccccc45)c4ccccc34)c3ccc(-c4cccc5ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 2,5-dimethyl-1-phenyl-4-(2-phenylthiophen-3-yl)imidazole;2-[3-(4-fluorophenyl)naphthalen-2-yl]pyridine;2-[2-(2-isocyanophenyl)phenyl]-3-methylpyridine;2-[3-(4-methoxyphenyl)naphthalen-2-yl]pyridine;2-[3-(4-methylphenyl)naphthalen-2-yl]pyridine;3-methyl-2-[2-(4-phenylphenyl)phenyl]pyridine;10-naphthalen-2-ylbenzo[h]quinoline;4-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-amine;2-(2,3,4,5,6-pentapyridin-2-ylphenyl)pyridine;2-(2-pyridin-2-ylphenyl)pyridine?
The InChIKey is HYINQTIURWNQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N.C36H24N6.C24H19N.C23H15N.C22H17NO.C22H17N.C21H14FN.C21H18N2S.C19H14N2.C16H12N2/c1-2-16-37-33-38(28-27-34(37)13-1)51(49-31-29-45(43-21-7-9-23-47(43)49)41-25-11-17-35-14-3-5-19-39(35)41)50-32-30-46(44-22-8-10-24-48(44)50)42-26-12-18-36-15-4-6-20-40(36)42;1-7-19-37-25(13-1)31-32(26-14-2-8-20-38-26)34(28-16-4-10-22-40-28)36(30-18-6-12-24-42-30)35(29-17-5-11-23-41-29)33(31)27-15-3-9-21-39-27;1-18-8-7-17-25-24(18)23-12-6-5-11-22(23)21-15-13-20(14-16-21)19-9-3-2-4-10-19;1-2-6-19-15-20(13-10-16(19)5-1)21-9-3-7-17-11-12-18-8-4-14-24-23(18)22(17)21;1-24-19-11-9-16(10-12-19)20-14-17-6-2-3-7-18(17)15-21(20)22-8-4-5-13-23-22;1-16-9-11-17(12-10-16)20-14-18-6-2-3-7-19(18)15-21(20)22-8-4-5-13-23-22;22-18-10-8-15(9-11-18)19-13-16-5-1-2-6-17(16)14-20(19)21-7-3-4-12-23-21;1-15-20(22-16(2)23(15)18-11-7-4-8-12-18)19-13-14-24-21(19)17-9-5-3-6-10-17;1-14-8-7-13-21-19(14)17-11-4-3-9-15(17)16-10-5-6-12-18(16)20-2;1-2-8-14(16-10-4-6-12-18-16)13(7-1)15-9-3-5-11-17-15/h1-33H;1-24H;2-17H,1H3;1-15H;2-15H,1H3;2-15H,1H3;1-14H;3-14H,1-2H3;3-13H,1H3;1-12H.
What are the key properties of 2,5-dimethyl-1-phenyl-4-(2-phenylthiophen-3-yl)imidazole;2-[3-(4-fluorophenyl)naphthalen-2-yl]pyridine;2-[2-(2-isocyanophenyl)phenyl]-3-methylpyridine;2-[3-(4-methoxyphenyl)naphthalen-2-yl]pyridine;2-[3-(4-methylphenyl)naphthalen-2-yl]pyridine;3-methyl-2-[2-(4-phenylphenyl)phenyl]pyridine;10-naphthalen-2-ylbenzo[h]quinoline;4-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-amine;2-(2,3,4,5,6-pentapyridin-2-ylphenyl)pyridine;2-(2-pyridin-2-ylphenyl)pyridine?
2,5-dimethyl-1-phenyl-4-(2-phenylthiophen-3-yl)imidazole;2-[3-(4-fluorophenyl)naphthalen-2-yl]pyridine;2-[2-(2-isocyanophenyl)phenyl]-3-methylpyridine;2-[3-(4-methoxyphenyl)naphthalen-2-yl]pyridine;2-[3-(4-methylphenyl)naphthalen-2-yl]pyridine;3-methyl-2-[2-(4-phenylphenyl)phenyl]pyridine;10-naphthalen-2-ylbenzo[h]quinoline;4-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-amine;2-(2,3,4,5,6-pentapyridin-2-ylphenyl)pyridine;2-(2-pyridin-2-ylphenyl)pyridine has a molecular weight of 3554.45 g/mol, XLogP of 67.05, 29 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-phenyl-4-(2-phenylthiophen-3-yl)imidazole;2-[3-(4-fluorophenyl)naphthalen-2-yl]pyridine;2-[2-(2-isocyanophenyl)phenyl]-3-methylpyridine;2-[3-(4-methoxyphenyl)naphthalen-2-yl]pyridine;2-[3-(4-methylphenyl)naphthalen-2-yl]pyridine;3-methyl-2-[2-(4-phenylphenyl)phenyl]pyridine;10-naphthalen-2-ylbenzo[h]quinoline;4-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-amine;2-(2,3,4,5,6-pentapyridin-2-ylphenyl)pyridine;2-(2-pyridin-2-ylphenyl)pyridine is sourced from PubChem (CID 158623887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).