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

C54H53ClN2 — CID 134179080

IUPAC4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine
SMILESCC(C)(C)c1ccnc(-c2ccc(-c3ccccc3C3CC(c4ccccc4Cl)CC(c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)C3)cc2)c1
InChIInChI=1S/C54H53ClN2/c1-53(2,3)43-27-29-56-51(34-43)38-23-19-36(20-24-38)45-13-7-9-15-47(45)40-31-41(33-42(32-40)49-17-11-12-18-50(49)55)48-16-10-8-14-46(48)37-21-25-39(26-22-37)52-35-44(28-30-57-52)54(4,5)6/h7-30,34-35,40-42H,31-33H2,1-6H3
InChIKeyUCAXYWWSNPJEND-UHFFFAOYSA-N
MW765.48 g/mol
LogP15.23
Rot. Bonds7

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

4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine (PubChem CID 134179080) has the molecular formula C54H53ClN2 and a molecular weight of 765.48 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine
PubChem CID134179080
Molecular FormulaC54H53ClN2
Molecular Weight765.48 g/mol
Exact Mass764.39
IUPAC Name4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine
SMILESCC(C)(C)c1ccnc(-c2ccc(-c3ccccc3C3CC(c4ccccc4Cl)CC(c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)C3)cc2)c1
InChIInChI=1S/C54H53ClN2/c1-53(2,3)43-27-29-56-51(34-43)38-23-19-36(20-24-38)45-13-7-9-15-47(45)40-31-41(33-42(32-40)49-17-11-12-18-50(49)55)48-16-10-8-14-46(48)37-21-25-39(26-22-37)52-35-44(28-30-57-52)54(4,5)6/h7-30,34-35,40-42H,31-33H2,1-6H3
InChIKeyUCAXYWWSNPJEND-UHFFFAOYSA-N
XLogP15.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.48
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine?
The IUPAC name of 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine (CID 134179080) is 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine?
The canonical SMILES for 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine is CC(C)(C)c1ccnc(-c2ccc(-c3ccccc3C3CC(c4ccccc4Cl)CC(c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)C3)cc2)c1.
What is the InChIKey of 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine?
The InChIKey is UCAXYWWSNPJEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H53ClN2/c1-53(2,3)43-27-29-56-51(34-43)38-23-19-36(20-24-38)45-13-7-9-15-47(45)40-31-41(33-42(32-40)49-17-11-12-18-50(49)55)48-16-10-8-14-46(48)37-21-25-39(26-22-37)52-35-44(28-30-57-52)54(4,5)6/h7-30,34-35,40-42H,31-33H2,1-6H3.
What are the key properties of 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine?
4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine has a molecular weight of 765.48 g/mol, XLogP of 15.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 134179080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).