2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]-5-methylpyridine

C64H51N3S — CID 166565370

IUPAC2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]-5-methylpyridine
SMILESCc1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccc(C)cn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccc(C)cn5)cc4-c4ccc5c(c4)sc4ccccc45)c3)cc2)nc1
InChIInChI=1S/C64H51N3S/c1-42-12-31-60(65-39-42)49-23-19-45(20-24-49)15-17-47-34-48(18-16-46-21-25-50(26-22-46)61-32-13-43(2)40-66-61)36-53(35-47)54-8-4-5-9-55(54)56-29-28-52(62-33-14-44(3)41-67-62)37-59(56)51-27-30-58-57-10-6-7-11-63(57)68-64(58)38-51/h4-14,19-41H,15-18H2,1-3H3
InChIKeyTXXSDAVVFWTGJM-UHFFFAOYSA-N
MW894.20 g/mol
LogP16.74
Rot. Bonds12

About 2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]-5-methylpyridine

2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]-5-methylpyridine (PubChem CID 166565370) has the molecular formula C64H51N3S and a molecular weight of 894.20 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]-5-methylpyridine
PubChem CID166565370
Molecular FormulaC64H51N3S
Molecular Weight894.20 g/mol
Exact Mass893.38
IUPAC Name2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]-5-methylpyridine
SMILESCc1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccc(C)cn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccc(C)cn5)cc4-c4ccc5c(c4)sc4ccccc45)c3)cc2)nc1
InChIInChI=1S/C64H51N3S/c1-42-12-31-60(65-39-42)49-23-19-45(20-24-49)15-17-47-34-48(18-16-46-21-25-50(26-22-46)61-32-13-43(2)40-66-61)36-53(35-47)54-8-4-5-9-55(54)56-29-28-52(62-33-14-44(3)41-67-62)37-59(56)51-27-30-58-57-10-6-7-11-63(57)68-64(58)38-51/h4-14,19-41H,15-18H2,1-3H3
InChIKeyTXXSDAVVFWTGJM-UHFFFAOYSA-N
XLogP16.74
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.20
LogP ≤ 516.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]-5-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]-6-[[2-[4-[2-[3-[2-[4-isoquinolin-3-yl-2-(3-phenylphenyl)phenyl]phenyl]-5-[2-[4-(4-methyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]-4-pyridinyl]methyl]-4-phenylquinoline
CID 139429640
4-(trideuteriomethyl)-2-[4-[2-[3-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]-5-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]-2-triphenylen-2-ylphenyl]phenyl]phenyl]ethyl]phenyl]pyridine
CID 165149274
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]-5-methylpyridine
CID 153458455
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine
CID 165148204
[2-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenyl] trifluoromethanesulfonate
CID 165148309
10-[2-[3-[2-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)ethyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylphenyl]phenyl]phenyl]ethyl]-2,3-dimethylimidazo[1,2-f]phenanthridine
CID 165148988
2-phenyl-5-[2-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]dibenzothiophen-3-yl]-5-[2-[6-phenyl-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine
CID 176729022
2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]pyridine
CID 142438932
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine
CID 165148497
4-[4-[2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]-3-fluorobenzonitrile
CID 169297634
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 164776327
8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylphenyl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2,3-dimethylimidazo[2,1-a]isoquinoline
CID 153458149

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]-5-methylpyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]-5-methylpyridine (CID 166565370) is 2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]-5-methylpyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]-5-methylpyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]-5-methylpyridine is Cc1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccc(C)cn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccc(C)cn5)cc4-c4ccc5c(c4)sc4ccccc45)c3)cc2)nc1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]-5-methylpyridine?
The InChIKey is TXXSDAVVFWTGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H51N3S/c1-42-12-31-60(65-39-42)49-23-19-45(20-24-49)15-17-47-34-48(18-16-46-21-25-50(26-22-46)61-32-13-43(2)40-66-61)36-53(35-47)54-8-4-5-9-55(54)56-29-28-52(62-33-14-44(3)41-67-62)37-59(56)51-27-30-58-57-10-6-7-11-63(57)68-64(58)38-51/h4-14,19-41H,15-18H2,1-3H3.
What are the key properties of 2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]-5-methylpyridine?
2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]-5-methylpyridine has a molecular weight of 894.20 g/mol, XLogP of 16.74, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]-5-methylpyridine is sourced from PubChem (CID 166565370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).