2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine

C95H65F6N3O2 — CID 153320038

IUPAC2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine
SMILESCC(C)(c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4-c4ccccc4)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C(F)(F)F)ccn5)cc4-c4cccc5oc6ccccc6c45)c3)c(-c3cccc4oc5ccccc5c34)c2)nc1)C(F)(F)F
InChIInChI=1S/C95H65F6N3O2/c1-92(2,94(96,97)98)65-47-49-103-85(56-65)61-41-45-75(82(55-61)77-33-21-38-89-91(77)79-31-15-17-36-87(79)106-89)72-29-13-10-26-69(72)64-51-62(67-24-8-11-27-70(67)73-43-39-59(83-34-18-19-48-102-83)53-80(73)58-22-6-5-7-23-58)50-63(52-64)68-25-9-12-28-71(68)74-44-40-60(84-46-42-66(57-104-84)93(3,4)95(99,100)101)54-81(74)76-32-20-37-88-90(76)78-30-14-16-35-86(78)105-88/h5-57H,1-4H3
InChIKeyKEFQOGVBOMTVHD-UHFFFAOYSA-N
MW1394.57 g/mol
LogP27.35
Rot. Bonds14

About 2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine

2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine (PubChem CID 153320038) has the molecular formula C95H65F6N3O2 and a molecular weight of 1394.57 g/mol. Its IUPAC name is 2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine.

Molecular Properties

Compound Name2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine
PubChem CID153320038
Molecular FormulaC95H65F6N3O2
Molecular Weight1394.57 g/mol
Exact Mass1393.50
IUPAC Name2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine
SMILESCC(C)(c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4-c4ccccc4)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C(F)(F)F)ccn5)cc4-c4cccc5oc6ccccc6c45)c3)c(-c3cccc4oc5ccccc5c34)c2)nc1)C(F)(F)F
InChIInChI=1S/C95H65F6N3O2/c1-92(2,94(96,97)98)65-47-49-103-85(56-65)61-41-45-75(82(55-61)77-33-21-38-89-91(77)79-31-15-17-36-87(79)106-89)72-29-13-10-26-69(72)64-51-62(67-24-8-11-27-70(67)73-43-39-59(83-34-18-19-48-102-83)53-80(73)58-22-6-5-7-23-58)50-63(52-64)68-25-9-12-28-71(68)74-44-40-60(84-46-42-66(57-104-84)93(3,4)95(99,100)101)54-81(74)76-32-20-37-88-90(76)78-30-14-16-35-86(78)105-88/h5-57H,1-4H3
InChIKeyKEFQOGVBOMTVHD-UHFFFAOYSA-N
XLogP27.35
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001394.57
LogP ≤ 527.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine 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

N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]dibenzofuran-3-carboxamide
CID 134142008
1-Dibenzofuran-4-ylisoquinoline
CID 459769
2-(4,4'-Di-tert-butyl-2'-(5-fluoropyridin-2-yl)-5'-(furan-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908886
6,6'-(4,4'-Di-tert-butyl-5,5'-di(furan-2-yl)-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908925
1-Cyclohexyl-4-[4-(5-fluoro-2-methyl-1-benzofuran-7-yl)piperidin-1-yl]-2-pyridin-2-ylbutan-1-one
CID 9912208
1-Cyclohexyl-4-[5-(5-fluoro-2-methyl-1-benzofuran-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-2-pyridin-2-ylbutan-1-one
CID 9912783
1-cyclohexyl-4-[4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridin-2-ylbutan-1-one
CID 12044148
1-Cyclohexyl-4-[3-(5-fluoro-2-methyl-1-benzofuran-7-yl)pyrrolidin-1-yl]-2-pyridin-2-ylbutan-1-one
CID 22951445
1-(1-benzylpiperidin-4-yl)-4-[4-(4-fluoro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridin-2-ylbutan-1-one
CID 22961018
1-Cyclohexyl-4-[4-(4-fluoro-1-benzofuran-7-yl)piperidin-1-yl]-2-methyl-2-pyridin-2-ylbutan-1-one
CID 22961030
2-[4-[4-(4-fluoro-1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-[2-(trifluoromethyl)phenyl]butan-2-yl]pyridine
CID 22961052
[4-[Difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-[2-fluoro-4-[4-(5-pentyl-2-pyridinyl)phenyl]phenyl]methanone
CID 58383542

Frequently Asked Questions

What is the IUPAC name of 2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine?
The IUPAC name of 2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine (CID 153320038) is 2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine.
What is the SMILES notation for 2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine?
The canonical SMILES for 2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine is CC(C)(c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4-c4ccccc4)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C(F)(F)F)ccn5)cc4-c4cccc5oc6ccccc6c45)c3)c(-c3cccc4oc5ccccc5c34)c2)nc1)C(F)(F)F.
What is the InChIKey of 2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine?
The InChIKey is KEFQOGVBOMTVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H65F6N3O2/c1-92(2,94(96,97)98)65-47-49-103-85(56-65)61-41-45-75(82(55-61)77-33-21-38-89-91(77)79-31-15-17-36-87(79)106-89)72-29-13-10-26-69(72)64-51-62(67-24-8-11-27-70(67)73-43-39-59(83-34-18-19-48-102-83)53-80(73)58-22-6-5-7-23-58)50-63(52-64)68-25-9-12-28-71(68)74-44-40-60(84-46-42-66(57-104-84)93(3,4)95(99,100)101)54-81(74)76-32-20-37-88-90(76)78-30-14-16-35-86(78)105-88/h5-57H,1-4H3.
What are the key properties of 2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine?
2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine has a molecular weight of 1394.57 g/mol, XLogP of 27.35, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine is sourced from PubChem (CID 153320038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).