2-[4-[5-tert-butyl-2-[3-(5-tert-butyl-2-chlorophenyl)-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine

C72H71ClF2N2 — CID 134179081

IUPAC2-[4-[5-tert-butyl-2-[3-(5-tert-butyl-2-chlorophenyl)-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
SMILESCc1cc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4cc(C(C)(C)C)ccc4Cl)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)C3)cc2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C72H71ClF2N2/c1-44-34-68(76-42-65(44)48-20-27-58(74)28-21-48)50-16-12-46(13-17-50)62-39-55(70(3,4)5)24-31-60(62)52-36-53(38-54(37-52)64-41-57(72(9,10)11)26-33-67(64)73)61-32-25-56(71(6,7)8)40-63(61)47-14-18-51(19-15-47)69-35-45(2)66(43-77-69)49-22-29-59(75)30-23-49/h12-35,39-43,52-54H,36-38H2,1-11H3
InChIKeyCQPDPAJURBKGIK-UHFFFAOYSA-N
MW1037.82 g/mol
LogP20.75
Rot. Bonds9

About 2-[4-[5-tert-butyl-2-[3-(5-tert-butyl-2-chlorophenyl)-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine

2-[4-[5-tert-butyl-2-[3-(5-tert-butyl-2-chlorophenyl)-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine (PubChem CID 134179081) has the molecular formula C72H71ClF2N2 and a molecular weight of 1037.82 g/mol. Its IUPAC name is 2-[4-[5-tert-butyl-2-[3-(5-tert-butyl-2-chlorophenyl)-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine.

Molecular Properties

Compound Name2-[4-[5-tert-butyl-2-[3-(5-tert-butyl-2-chlorophenyl)-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
PubChem CID134179081
Molecular FormulaC72H71ClF2N2
Molecular Weight1037.82 g/mol
Exact Mass1036.53
IUPAC Name2-[4-[5-tert-butyl-2-[3-(5-tert-butyl-2-chlorophenyl)-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
SMILESCc1cc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4cc(C(C)(C)C)ccc4Cl)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)C3)cc2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C72H71ClF2N2/c1-44-34-68(76-42-65(44)48-20-27-58(74)28-21-48)50-16-12-46(13-17-50)62-39-55(70(3,4)5)24-31-60(62)52-36-53(38-54(37-52)64-41-57(72(9,10)11)26-33-67(64)73)61-32-25-56(71(6,7)8)40-63(61)47-14-18-51(19-15-47)69-35-45(2)66(43-77-69)49-22-29-59(75)30-23-49/h12-35,39-43,52-54H,36-38H2,1-11H3
InChIKeyCQPDPAJURBKGIK-UHFFFAOYSA-N
XLogP20.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.82
LogP ≤ 520.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[5-tert-butyl-2-[3-(5-tert-butyl-2-chlorophenyl)-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-tert-butyl-2-[3-(5-tert-butyl-2-chlorophenyl)-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
The IUPAC name of 2-[4-[5-tert-butyl-2-[3-(5-tert-butyl-2-chlorophenyl)-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine (CID 134179081) is 2-[4-[5-tert-butyl-2-[3-(5-tert-butyl-2-chlorophenyl)-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine.
What is the SMILES notation for 2-[4-[5-tert-butyl-2-[3-(5-tert-butyl-2-chlorophenyl)-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
The canonical SMILES for 2-[4-[5-tert-butyl-2-[3-(5-tert-butyl-2-chlorophenyl)-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine is Cc1cc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4cc(C(C)(C)C)ccc4Cl)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)C3)cc2)ncc1-c1ccc(F)cc1.
What is the InChIKey of 2-[4-[5-tert-butyl-2-[3-(5-tert-butyl-2-chlorophenyl)-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
The InChIKey is CQPDPAJURBKGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H71ClF2N2/c1-44-34-68(76-42-65(44)48-20-27-58(74)28-21-48)50-16-12-46(13-17-50)62-39-55(70(3,4)5)24-31-60(62)52-36-53(38-54(37-52)64-41-57(72(9,10)11)26-33-67(64)73)61-32-25-56(71(6,7)8)40-63(61)47-14-18-51(19-15-47)69-35-45(2)66(43-77-69)49-22-29-59(75)30-23-49/h12-35,39-43,52-54H,36-38H2,1-11H3.
What are the key properties of 2-[4-[5-tert-butyl-2-[3-(5-tert-butyl-2-chlorophenyl)-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
2-[4-[5-tert-butyl-2-[3-(5-tert-butyl-2-chlorophenyl)-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine has a molecular weight of 1037.82 g/mol, XLogP of 20.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-tert-butyl-2-[3-(5-tert-butyl-2-chlorophenyl)-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine is sourced from PubChem (CID 134179081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).