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

C60H51ClN2 — CID 134225953

IUPAC4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]-5-chlorophenyl]phenyl]-3-phenylphenyl]pyridine
SMILESCC(C)(C)c1ccnc(-c2ccc(-c3ccccc3-c3cc(Cl)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4-c4ccccc4)c3)c(-c3ccccc3)c2)c1
InChIInChI=1S/C60H51ClN2/c1-59(2,3)46-29-31-62-57(38-46)42-25-27-53(55(36-42)40-17-9-7-10-18-40)51-23-15-13-21-49(51)44-33-45(35-48(61)34-44)50-22-14-16-24-52(50)54-28-26-43(37-56(54)41-19-11-8-12-20-41)58-39-47(30-32-63-58)60(4,5)6/h7-39H,1-6H3
InChIKeyRLEJWBZAGAHNEB-UHFFFAOYSA-N
MW835.54 g/mol
LogP17.06
Rot. Bonds8

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

4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]-5-chlorophenyl]phenyl]-3-phenylphenyl]pyridine (PubChem CID 134225953) has the molecular formula C60H51ClN2 and a molecular weight of 835.54 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]-5-chlorophenyl]phenyl]-3-phenylphenyl]pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]-5-chlorophenyl]phenyl]-3-phenylphenyl]pyridine
PubChem CID134225953
Molecular FormulaC60H51ClN2
Molecular Weight835.54 g/mol
Exact Mass834.37
IUPAC Name4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]-5-chlorophenyl]phenyl]-3-phenylphenyl]pyridine
SMILESCC(C)(C)c1ccnc(-c2ccc(-c3ccccc3-c3cc(Cl)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4-c4ccccc4)c3)c(-c3ccccc3)c2)c1
InChIInChI=1S/C60H51ClN2/c1-59(2,3)46-29-31-62-57(38-46)42-25-27-53(55(36-42)40-17-9-7-10-18-40)51-23-15-13-21-49(51)44-33-45(35-48(61)34-44)50-22-14-16-24-52(50)54-28-26-43(37-56(54)41-19-11-8-12-20-41)58-39-47(30-32-63-58)60(4,5)6/h7-39H,1-6H3
InChIKeyRLEJWBZAGAHNEB-UHFFFAOYSA-N
XLogP17.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.54
LogP ≤ 517.06
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)-2-phenylphenyl]phenyl]-5-chlorophenyl]phenyl]-3-phenylphenyl]pyridine?
The IUPAC name of 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]-5-chlorophenyl]phenyl]-3-phenylphenyl]pyridine (CID 134225953) is 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]-5-chlorophenyl]phenyl]-3-phenylphenyl]pyridine.
What is the SMILES notation for 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]-5-chlorophenyl]phenyl]-3-phenylphenyl]pyridine?
The canonical SMILES for 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]-5-chlorophenyl]phenyl]-3-phenylphenyl]pyridine is CC(C)(C)c1ccnc(-c2ccc(-c3ccccc3-c3cc(Cl)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4-c4ccccc4)c3)c(-c3ccccc3)c2)c1.
What is the InChIKey of 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]-5-chlorophenyl]phenyl]-3-phenylphenyl]pyridine?
The InChIKey is RLEJWBZAGAHNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H51ClN2/c1-59(2,3)46-29-31-62-57(38-46)42-25-27-53(55(36-42)40-17-9-7-10-18-40)51-23-15-13-21-49(51)44-33-45(35-48(61)34-44)50-22-14-16-24-52(50)54-28-26-43(37-56(54)41-19-11-8-12-20-41)58-39-47(30-32-63-58)60(4,5)6/h7-39H,1-6H3.
What are the key properties of 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]-5-chlorophenyl]phenyl]-3-phenylphenyl]pyridine?
4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]-5-chlorophenyl]phenyl]-3-phenylphenyl]pyridine has a molecular weight of 835.54 g/mol, XLogP of 17.06, 8 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)-2-phenylphenyl]phenyl]-5-chlorophenyl]phenyl]-3-phenylphenyl]pyridine is sourced from PubChem (CID 134225953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).