2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine

C55H41ClF2N2 — CID 167196599

IUPAC2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(Cl)cc(-c4ccccc4-c4ccc(-c5cc(C)c(C6C=CC(F)=CC6C)cn5)cc4)c3)cc2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C55H41ClF2N2/c1-34-26-46(58)24-25-47(34)53-33-60-55(28-36(53)3)41-18-14-38(15-19-41)49-9-5-7-11-51(49)43-29-42(30-44(56)31-43)50-10-6-4-8-48(50)37-12-16-40(17-13-37)54-27-35(2)52(32-59-54)39-20-22-45(57)23-21-39/h4-34,47H,1-3H3
InChIKeyNKTGOLGKXKBPKR-UHFFFAOYSA-N
MW803.40 g/mol
LogP15.70
Rot. Bonds8

About 2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine

2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine (PubChem CID 167196599) has the molecular formula C55H41ClF2N2 and a molecular weight of 803.40 g/mol. Its IUPAC name is 2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine.

Molecular Properties

Compound Name2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
PubChem CID167196599
Molecular FormulaC55H41ClF2N2
Molecular Weight803.40 g/mol
Exact Mass802.29
IUPAC Name2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(Cl)cc(-c4ccccc4-c4ccc(-c5cc(C)c(C6C=CC(F)=CC6C)cn5)cc4)c3)cc2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C55H41ClF2N2/c1-34-26-46(58)24-25-47(34)53-33-60-55(28-36(53)3)41-18-14-38(15-19-41)49-9-5-7-11-51(49)43-29-42(30-44(56)31-43)50-10-6-4-8-48(50)37-12-16-40(17-13-37)54-27-35(2)52(32-59-54)39-20-22-45(57)23-21-39/h4-34,47H,1-3H3
InChIKeyNKTGOLGKXKBPKR-UHFFFAOYSA-N
XLogP15.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.40
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-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-(3-Chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829709
2-(1-Benzylpiperidin-4-ylidene)-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 155523802
13-Chloro-2-[1-(cyclohexylmethyl)piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 155556183
13-Chloro-2-[1-[(3-methylphenyl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 155527187
3-[3-Chloro-2-(2,2-dipyridin-3-ylethyl)phenyl]benzonitrile
CID 66829716
3-[1-[3-chloro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]-2-methylprop-1-enyl]pyridine
CID 122451518
2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-N-pyridin-4-ylpyridin-4-amine
CID 144881581
2-[2-(3-Chlorophenyl)-1-phenylprop-2-enyl]pyridine
CID 12404176
13-chloro-2-[1-[(1S)-1-phenylethyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 46893506
13-chloro-2-[1-[(1R)-1-phenylethyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 46893634
1-(3-Chlorophenyl)-4-[(2-fluorophenyl)-(3-propan-2-yl-2-pyridinyl)methyl]piperazine
CID 172451476
Pyridine, 4,4'-((2,2'''',3,3'''',5,5'''',6,6''''-octafluoro(1,1':3',1'':3'',1''':3''',1''''-quinquephenyl)-4,4''''-diyl)bis(methylene))bis-
CID 12158472

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
The IUPAC name of 2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine (CID 167196599) is 2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine.
What is the SMILES notation for 2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
The canonical SMILES for 2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine is Cc1cc(-c2ccc(-c3ccccc3-c3cc(Cl)cc(-c4ccccc4-c4ccc(-c5cc(C)c(C6C=CC(F)=CC6C)cn5)cc4)c3)cc2)ncc1-c1ccc(F)cc1.
What is the InChIKey of 2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
The InChIKey is NKTGOLGKXKBPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41ClF2N2/c1-34-26-46(58)24-25-47(34)53-33-60-55(28-36(53)3)41-18-14-38(15-19-41)49-9-5-7-11-51(49)43-29-42(30-44(56)31-43)50-10-6-4-8-48(50)37-12-16-40(17-13-37)54-27-35(2)52(32-59-54)39-20-22-45(57)23-21-39/h4-34,47H,1-3H3.
What are the key properties of 2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine has a molecular weight of 803.40 g/mol, XLogP of 15.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine is sourced from PubChem (CID 167196599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).