2-[6-[4-[2-[3-[2-[4-[5-[3,6-dimethyl-4-(trifluoromethyl)-4H-pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine

C76H52F9N9 — CID 139352280

IUPAC2-[6-[4-[2-[3-[2-[4-[5-[3,6-dimethyl-4-(trifluoromethyl)-4H-pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine
SMILESCC1=CC(C(F)(F)F)N(C)C(c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C)cc(C(F)(F)F)n7)cn6)cc5)cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C)cc(C(F)(F)F)n7)cn6)cc5)c4)cc3)nc2)=N1
InChIInChI=1S/C76H52F9N9/c1-44-35-68(74(77,78)79)92-71(89-44)53-29-32-65(86-41-53)50-23-17-47(18-24-50)59-11-5-8-14-62(59)56-38-57(63-15-9-6-12-60(63)48-19-25-51(26-20-48)66-33-30-54(42-87-66)72-90-45(2)36-69(93-72)75(80,81)82)40-58(39-56)64-16-10-7-13-61(64)49-21-27-52(28-22-49)67-34-31-55(43-88-67)73-91-46(3)37-70(94(73)4)76(83,84)85/h5-43,70H,1-4H3
InChIKeyQZTJJKSGIFZPTJ-UHFFFAOYSA-N
MW1262.30 g/mol
LogP19.97
Rot. Bonds12

About 2-[6-[4-[2-[3-[2-[4-[5-[3,6-dimethyl-4-(trifluoromethyl)-4H-pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine

2-[6-[4-[2-[3-[2-[4-[5-[3,6-dimethyl-4-(trifluoromethyl)-4H-pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine (PubChem CID 139352280) has the molecular formula C76H52F9N9 and a molecular weight of 1262.30 g/mol. Its IUPAC name is 2-[6-[4-[2-[3-[2-[4-[5-[3,6-dimethyl-4-(trifluoromethyl)-4H-pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[6-[4-[2-[3-[2-[4-[5-[3,6-dimethyl-4-(trifluoromethyl)-4H-pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine
PubChem CID139352280
Molecular FormulaC76H52F9N9
Molecular Weight1262.30 g/mol
Exact Mass1261.42
IUPAC Name2-[6-[4-[2-[3-[2-[4-[5-[3,6-dimethyl-4-(trifluoromethyl)-4H-pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine
SMILESCC1=CC(C(F)(F)F)N(C)C(c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C)cc(C(F)(F)F)n7)cn6)cc5)cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C)cc(C(F)(F)F)n7)cn6)cc5)c4)cc3)nc2)=N1
InChIInChI=1S/C76H52F9N9/c1-44-35-68(74(77,78)79)92-71(89-44)53-29-32-65(86-41-53)50-23-17-47(18-24-50)59-11-5-8-14-62(59)56-38-57(63-15-9-6-12-60(63)48-19-25-51(26-20-48)66-33-30-54(42-87-66)72-90-45(2)36-69(93-72)75(80,81)82)40-58(39-56)64-16-10-7-13-61(64)49-21-27-52(28-22-49)67-34-31-55(43-88-67)73-91-46(3)37-70(94(73)4)76(83,84)85/h5-43,70H,1-4H3
InChIKeyQZTJJKSGIFZPTJ-UHFFFAOYSA-N
XLogP19.97
TPSA105.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001262.30
LogP ≤ 519.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[6-[4-[2-[3-[2-[4-[5-[3,6-dimethyl-4-(trifluoromethyl)-4H-pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[2-[3-[2-[4-[5-[3,6-dimethyl-4-(trifluoromethyl)-4H-pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[6-[4-[2-[3-[2-[4-[5-[3,6-dimethyl-4-(trifluoromethyl)-4H-pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine (CID 139352280) is 2-[6-[4-[2-[3-[2-[4-[5-[3,6-dimethyl-4-(trifluoromethyl)-4H-pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[6-[4-[2-[3-[2-[4-[5-[3,6-dimethyl-4-(trifluoromethyl)-4H-pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[6-[4-[2-[3-[2-[4-[5-[3,6-dimethyl-4-(trifluoromethyl)-4H-pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine is CC1=CC(C(F)(F)F)N(C)C(c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C)cc(C(F)(F)F)n7)cn6)cc5)cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C)cc(C(F)(F)F)n7)cn6)cc5)c4)cc3)nc2)=N1.
What is the InChIKey of 2-[6-[4-[2-[3-[2-[4-[5-[3,6-dimethyl-4-(trifluoromethyl)-4H-pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is QZTJJKSGIFZPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H52F9N9/c1-44-35-68(74(77,78)79)92-71(89-44)53-29-32-65(86-41-53)50-23-17-47(18-24-50)59-11-5-8-14-62(59)56-38-57(63-15-9-6-12-60(63)48-19-25-51(26-20-48)66-33-30-54(42-87-66)72-90-45(2)36-69(93-72)75(80,81)82)40-58(39-56)64-16-10-7-13-61(64)49-21-27-52(28-22-49)67-34-31-55(43-88-67)73-91-46(3)37-70(94(73)4)76(83,84)85/h5-43,70H,1-4H3.
What are the key properties of 2-[6-[4-[2-[3-[2-[4-[5-[3,6-dimethyl-4-(trifluoromethyl)-4H-pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine?
2-[6-[4-[2-[3-[2-[4-[5-[3,6-dimethyl-4-(trifluoromethyl)-4H-pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 1262.30 g/mol, XLogP of 19.97, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[2-[3-[2-[4-[5-[3,6-dimethyl-4-(trifluoromethyl)-4H-pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 139352280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).