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

C75H48F9N9 — CID 134191452

IUPAC2-[6-[4-[2-[3,5-bis[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(-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/C75H48F9N9/c1-43-34-67(73(76,77)78)91-70(88-43)52-28-31-64(85-40-52)49-22-16-46(17-23-49)58-10-4-7-13-61(58)55-37-56(62-14-8-5-11-59(62)47-18-24-50(25-19-47)65-32-29-53(41-86-65)71-89-44(2)35-68(92-71)74(79,80)81)39-57(38-55)63-15-9-6-12-60(63)48-20-26-51(27-21-48)66-33-30-54(42-87-66)72-90-45(3)36-69(93-72)75(82,83)84/h4-42H,1-3H3
InChIKeyTZINHFZZJGGXOG-UHFFFAOYSA-N
MW1246.25 g/mol
LogP20.23
Rot. Bonds12

About 2-[6-[4-[2-[3,5-bis[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-[3,5-bis[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 134191452) has the molecular formula C75H48F9N9 and a molecular weight of 1246.25 g/mol. Its IUPAC name is 2-[6-[4-[2-[3,5-bis[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-[3,5-bis[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 CID134191452
Molecular FormulaC75H48F9N9
Molecular Weight1246.25 g/mol
Exact Mass1245.39
IUPAC Name2-[6-[4-[2-[3,5-bis[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(-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/C75H48F9N9/c1-43-34-67(73(76,77)78)91-70(88-43)52-28-31-64(85-40-52)49-22-16-46(17-23-49)58-10-4-7-13-61(58)55-37-56(62-14-8-5-11-59(62)47-18-24-50(25-19-47)65-32-29-53(41-86-65)71-89-44(2)35-68(92-71)74(79,80)81)39-57(38-55)63-15-9-6-12-60(63)48-20-26-51(27-21-48)66-33-30-54(42-87-66)72-90-45(3)36-69(93-72)75(82,83)84/h4-42H,1-3H3
InChIKeyTZINHFZZJGGXOG-UHFFFAOYSA-N
XLogP20.23
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001246.25
LogP ≤ 520.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[6-[4-[2-[3,5-bis[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-[3,5-bis[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-[3,5-bis[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 134191452) is 2-[6-[4-[2-[3,5-bis[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-[3,5-bis[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-[3,5-bis[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 Cc1cc(C(F)(F)F)nc(-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-[3,5-bis[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 TZINHFZZJGGXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H48F9N9/c1-43-34-67(73(76,77)78)91-70(88-43)52-28-31-64(85-40-52)49-22-16-46(17-23-49)58-10-4-7-13-61(58)55-37-56(62-14-8-5-11-59(62)47-18-24-50(25-19-47)65-32-29-53(41-86-65)71-89-44(2)35-68(92-71)74(79,80)81)39-57(38-55)63-15-9-6-12-60(63)48-20-26-51(27-21-48)66-33-30-54(42-87-66)72-90-45(3)36-69(93-72)75(82,83)84/h4-42H,1-3H3.
What are the key properties of 2-[6-[4-[2-[3,5-bis[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-[3,5-bis[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 1246.25 g/mol, XLogP of 20.23, 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-[3,5-bis[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 134191452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).