2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]-3-phenylphenyl]pyridine

C66H61ClN2 — CID 134179227

IUPAC2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]-3-phenylphenyl]pyridine
SMILESCC(C)(C)c1ccc(C2CC(c3ccccc3Cl)CC(c3ccc(C(C)(C)C)cc3-c3ccc(-c4ccccn4)cc3-c3ccccc3)C2)c(-c2ccc(-c3ccccn3)cc2-c2ccccc2)c1
InChIInChI=1S/C66H61ClN2/c1-65(2,3)51-29-33-53(60(42-51)56-31-27-46(63-25-15-17-35-68-63)40-58(56)44-19-9-7-10-20-44)48-37-49(39-50(38-48)55-23-13-14-24-62(55)67)54-34-30-52(66(4,5)6)43-61(54)57-32-28-47(64-26-16-18-36-69-64)41-59(57)45-21-11-8-12-22-45/h7-36,40-43,48-50H,37-39H2,1-6H3
InChIKeyIPWANMDCRKPDNK-UHFFFAOYSA-N
MW917.68 g/mol
LogP18.56
Rot. Bonds9

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

2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]-3-phenylphenyl]pyridine (PubChem CID 134179227) has the molecular formula C66H61ClN2 and a molecular weight of 917.68 g/mol. Its IUPAC name is 2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]-3-phenylphenyl]pyridine.

Molecular Properties

Compound Name2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]-3-phenylphenyl]pyridine
PubChem CID134179227
Molecular FormulaC66H61ClN2
Molecular Weight917.68 g/mol
Exact Mass916.45
IUPAC Name2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]-3-phenylphenyl]pyridine
SMILESCC(C)(C)c1ccc(C2CC(c3ccccc3Cl)CC(c3ccc(C(C)(C)C)cc3-c3ccc(-c4ccccn4)cc3-c3ccccc3)C2)c(-c2ccc(-c3ccccn3)cc2-c2ccccc2)c1
InChIInChI=1S/C66H61ClN2/c1-65(2,3)51-29-33-53(60(42-51)56-31-27-46(63-25-15-17-35-68-63)40-58(56)44-19-9-7-10-20-44)48-37-49(39-50(38-48)55-23-13-14-24-62(55)67)54-34-30-52(66(4,5)6)43-61(54)57-32-28-47(64-26-16-18-36-69-64)41-59(57)45-21-11-8-12-22-45/h7-36,40-43,48-50H,37-39H2,1-6H3
InChIKeyIPWANMDCRKPDNK-UHFFFAOYSA-N
XLogP18.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.68
LogP ≤ 518.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]-3-phenylphenyl]pyridine 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-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]-3-phenylphenyl]pyridine?
The IUPAC name of 2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]-3-phenylphenyl]pyridine (CID 134179227) is 2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]-3-phenylphenyl]pyridine.
What is the SMILES notation for 2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]-3-phenylphenyl]pyridine?
The canonical SMILES for 2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]-3-phenylphenyl]pyridine is CC(C)(C)c1ccc(C2CC(c3ccccc3Cl)CC(c3ccc(C(C)(C)C)cc3-c3ccc(-c4ccccn4)cc3-c3ccccc3)C2)c(-c2ccc(-c3ccccn3)cc2-c2ccccc2)c1.
What is the InChIKey of 2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]-3-phenylphenyl]pyridine?
The InChIKey is IPWANMDCRKPDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H61ClN2/c1-65(2,3)51-29-33-53(60(42-51)56-31-27-46(63-25-15-17-35-68-63)40-58(56)44-19-9-7-10-20-44)48-37-49(39-50(38-48)55-23-13-14-24-62(55)67)54-34-30-52(66(4,5)6)43-61(54)57-32-28-47(64-26-16-18-36-69-64)41-59(57)45-21-11-8-12-22-45/h7-36,40-43,48-50H,37-39H2,1-6H3.
What are the key properties of 2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]-3-phenylphenyl]pyridine?
2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]-3-phenylphenyl]pyridine has a molecular weight of 917.68 g/mol, XLogP of 18.56, 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-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]-3-phenylphenyl]pyridine is sourced from PubChem (CID 134179227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).