2-[4-[2,6-bis[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine

C124H84F4N6 — CID 153434677

IUPAC2-[4-[2,6-bis[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)cc(-c4cccc(-c5cc(-c6ccccc6-c6ccc(-c7cc(C)c(-c8ccc(F)cc8)cn7)cc6)cc(-c6ccccc6-c6ccc(-c7cc(C)c(-c8ccc(F)cc8)cn7)cc6)c5)c4-c4ccc(-c5ncccn5)cc4)c3)cc2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C124H84F4N6/c1-77-63-119(131-73-115(77)85-45-53-101(125)54-46-85)89-33-25-81(26-34-89)105-15-5-9-19-109(105)95-67-96(110-20-10-6-16-106(110)82-27-35-90(36-28-82)120-64-78(2)116(74-132-120)86-47-55-102(126)56-48-86)70-99(69-95)113-23-13-24-114(123(113)93-41-43-94(44-42-93)124-129-61-14-62-130-124)100-71-97(111-21-11-7-17-107(111)83-29-37-91(38-30-83)121-65-79(3)117(75-133-121)87-49-57-103(127)58-50-87)68-98(72-100)112-22-12-8-18-108(112)84-31-39-92(40-32-84)122-66-80(4)118(76-134-122)88-51-59-104(128)60-52-88/h5-76H,1-4H3
InChIKeyQMGJRSXSZGALFL-UHFFFAOYSA-N
MW1734.07 g/mol
LogP33.19
Rot. Bonds20

About 2-[4-[2,6-bis[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine

2-[4-[2,6-bis[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine (PubChem CID 153434677) has the molecular formula C124H84F4N6 and a molecular weight of 1734.07 g/mol. Its IUPAC name is 2-[4-[2,6-bis[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name2-[4-[2,6-bis[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
PubChem CID153434677
Molecular FormulaC124H84F4N6
Molecular Weight1734.07 g/mol
Exact Mass1732.67
IUPAC Name2-[4-[2,6-bis[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)cc(-c4cccc(-c5cc(-c6ccccc6-c6ccc(-c7cc(C)c(-c8ccc(F)cc8)cn7)cc6)cc(-c6ccccc6-c6ccc(-c7cc(C)c(-c8ccc(F)cc8)cn7)cc6)c5)c4-c4ccc(-c5ncccn5)cc4)c3)cc2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C124H84F4N6/c1-77-63-119(131-73-115(77)85-45-53-101(125)54-46-85)89-33-25-81(26-34-89)105-15-5-9-19-109(105)95-67-96(110-20-10-6-16-106(110)82-27-35-90(36-28-82)120-64-78(2)116(74-132-120)86-47-55-102(126)56-48-86)70-99(69-95)113-23-13-24-114(123(113)93-41-43-94(44-42-93)124-129-61-14-62-130-124)100-71-97(111-21-11-7-17-107(111)83-29-37-91(38-30-83)121-65-79(3)117(75-133-121)87-49-57-103(127)58-50-87)68-98(72-100)112-22-12-8-18-108(112)84-31-39-92(40-32-84)122-66-80(4)118(76-134-122)88-51-59-104(128)60-52-88/h5-76H,1-4H3
InChIKeyQMGJRSXSZGALFL-UHFFFAOYSA-N
XLogP33.19
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001734.07
LogP ≤ 533.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2,6-bis[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine 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

Azd-3839
CID 46202416
6-Methyl-N5-(3-(pyrimidin-4-yl)pyridin-2-yl)-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine
CID 16214904
(1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine
CID 46206292
6-(4-methylphenyl)-7-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 10273318
1-(2-(Difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine
CID 46202415
4-Fluoro-1-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-1-(2-(trifluoromethyl)pyridin-4-yl)-1H-isoindol-3-amine
CID 46206291
4-Fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1-(2-(trifluoromethyl)pyridin-4-yl)-1H-isoindol-3-amine
CID 46206642
1-(2,6-Dimethylpyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine
CID 46206643
5-methyl-2-(2-propan-2-ylphenyl)-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]pyrimidin-4-amine
CID 60167911
4-Pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 3431450
2-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 3477788
4-(4-Methylpiperazin-1-yl)-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 4388740

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,6-bis[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine?
The IUPAC name of 2-[4-[2,6-bis[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine (CID 153434677) is 2-[4-[2,6-bis[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine.
What is the SMILES notation for 2-[4-[2,6-bis[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine?
The canonical SMILES for 2-[4-[2,6-bis[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine is Cc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)cc(-c4cccc(-c5cc(-c6ccccc6-c6ccc(-c7cc(C)c(-c8ccc(F)cc8)cn7)cc6)cc(-c6ccccc6-c6ccc(-c7cc(C)c(-c8ccc(F)cc8)cn7)cc6)c5)c4-c4ccc(-c5ncccn5)cc4)c3)cc2)ncc1-c1ccc(F)cc1.
What is the InChIKey of 2-[4-[2,6-bis[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine?
The InChIKey is QMGJRSXSZGALFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H84F4N6/c1-77-63-119(131-73-115(77)85-45-53-101(125)54-46-85)89-33-25-81(26-34-89)105-15-5-9-19-109(105)95-67-96(110-20-10-6-16-106(110)82-27-35-90(36-28-82)120-64-78(2)116(74-132-120)86-47-55-102(126)56-48-86)70-99(69-95)113-23-13-24-114(123(113)93-41-43-94(44-42-93)124-129-61-14-62-130-124)100-71-97(111-21-11-7-17-107(111)83-29-37-91(38-30-83)121-65-79(3)117(75-133-121)87-49-57-103(127)58-50-87)68-98(72-100)112-22-12-8-18-108(112)84-31-39-92(40-32-84)122-66-80(4)118(76-134-122)88-51-59-104(128)60-52-88/h5-76H,1-4H3.
What are the key properties of 2-[4-[2,6-bis[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine?
2-[4-[2,6-bis[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine has a molecular weight of 1734.07 g/mol, XLogP of 33.19, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,6-bis[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine is sourced from PubChem (CID 153434677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).