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

C68H65ClN2 — CID 134179082

IUPAC2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-methyl-5-phenyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]-4-methyl-5-phenylpyridine
SMILESCc1cc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4ccccc4Cl)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C)c(-c6ccccc6)cn5)cc4)C3)cc2)ncc1-c1ccccc1
InChIInChI=1S/C68H65ClN2/c1-44-35-65(70-42-62(44)46-17-11-9-12-18-46)50-27-23-48(24-28-50)60-40-55(67(3,4)5)31-33-57(60)52-37-53(39-54(38-52)59-21-15-16-22-64(59)69)58-34-32-56(68(6,7)8)41-61(58)49-25-29-51(30-26-49)66-36-45(2)63(43-71-66)47-19-13-10-14-20-47/h9-36,40-43,52-54H,37-39H2,1-8H3
InChIKeyVARDOGDVDPNUKK-UHFFFAOYSA-N
MW945.74 g/mol
LogP19.18
Rot. Bonds9

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

2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-methyl-5-phenyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]-4-methyl-5-phenylpyridine (PubChem CID 134179082) has the molecular formula C68H65ClN2 and a molecular weight of 945.74 g/mol. Its IUPAC name is 2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-methyl-5-phenyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]-4-methyl-5-phenylpyridine.

Molecular Properties

Compound Name2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-methyl-5-phenyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]-4-methyl-5-phenylpyridine
PubChem CID134179082
Molecular FormulaC68H65ClN2
Molecular Weight945.74 g/mol
Exact Mass944.48
IUPAC Name2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-methyl-5-phenyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]-4-methyl-5-phenylpyridine
SMILESCc1cc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4ccccc4Cl)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C)c(-c6ccccc6)cn5)cc4)C3)cc2)ncc1-c1ccccc1
InChIInChI=1S/C68H65ClN2/c1-44-35-65(70-42-62(44)46-17-11-9-12-18-46)50-27-23-48(24-28-50)60-40-55(67(3,4)5)31-33-57(60)52-37-53(39-54(38-52)59-21-15-16-22-64(59)69)58-34-32-56(68(6,7)8)41-61(58)49-25-29-51(30-26-49)66-36-45(2)63(43-71-66)47-19-13-10-14-20-47/h9-36,40-43,52-54H,37-39H2,1-8H3
InChIKeyVARDOGDVDPNUKK-UHFFFAOYSA-N
XLogP19.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.74
LogP ≤ 519.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-methyl-5-phenyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]-4-methyl-5-phenylpyridine?
The IUPAC name of 2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-methyl-5-phenyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]-4-methyl-5-phenylpyridine (CID 134179082) is 2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-methyl-5-phenyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]-4-methyl-5-phenylpyridine.
What is the SMILES notation for 2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-methyl-5-phenyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]-4-methyl-5-phenylpyridine?
The canonical SMILES for 2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-methyl-5-phenyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]-4-methyl-5-phenylpyridine is Cc1cc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4ccccc4Cl)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C)c(-c6ccccc6)cn5)cc4)C3)cc2)ncc1-c1ccccc1.
What is the InChIKey of 2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-methyl-5-phenyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]-4-methyl-5-phenylpyridine?
The InChIKey is VARDOGDVDPNUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H65ClN2/c1-44-35-65(70-42-62(44)46-17-11-9-12-18-46)50-27-23-48(24-28-50)60-40-55(67(3,4)5)31-33-57(60)52-37-53(39-54(38-52)59-21-15-16-22-64(59)69)58-34-32-56(68(6,7)8)41-61(58)49-25-29-51(30-26-49)66-36-45(2)63(43-71-66)47-19-13-10-14-20-47/h9-36,40-43,52-54H,37-39H2,1-8H3.
What are the key properties of 2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-methyl-5-phenyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]-4-methyl-5-phenylpyridine?
2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-methyl-5-phenyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]-4-methyl-5-phenylpyridine has a molecular weight of 945.74 g/mol, XLogP of 19.18, 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-[4-tert-butyl-2-[4-(4-methyl-5-phenyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]-4-methyl-5-phenylpyridine is sourced from PubChem (CID 134179082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).