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

C48H43ClN2 — CID 122487705

IUPAC4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine
SMILESCC(C)(C)c1ccnc(-c2ccc(-c3ccccc3-c3cc(Cl)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)c3)cc2)c1
InChIInChI=1S/C48H43ClN2/c1-47(2,3)38-23-25-50-45(30-38)34-19-15-32(16-20-34)41-11-7-9-13-43(41)36-27-37(29-40(49)28-36)44-14-10-8-12-42(44)33-17-21-35(22-18-33)46-31-39(24-26-51-46)48(4,5)6/h7-31H,1-6H3
InChIKeyTZLJRFMUSSWROH-UHFFFAOYSA-N
MW683.34 g/mol
LogP13.73
Rot. Bonds6

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

4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine (PubChem CID 122487705) has the molecular formula C48H43ClN2 and a molecular weight of 683.34 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine
PubChem CID122487705
Molecular FormulaC48H43ClN2
Molecular Weight683.34 g/mol
Exact Mass682.31
IUPAC Name4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine
SMILESCC(C)(C)c1ccnc(-c2ccc(-c3ccccc3-c3cc(Cl)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)c3)cc2)c1
InChIInChI=1S/C48H43ClN2/c1-47(2,3)38-23-25-50-45(30-38)34-19-15-32(16-20-34)41-11-7-9-13-43(41)36-27-37(29-40(49)28-36)44-14-10-8-12-42(44)33-17-21-35(22-18-33)46-31-39(24-26-51-46)48(4,5)6/h7-31H,1-6H3
InChIKeyTZLJRFMUSSWROH-UHFFFAOYSA-N
XLogP13.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.34
LogP ≤ 513.73
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-chlorophenyl]phenyl]phenyl]pyridine?
The IUPAC name of 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine (CID 122487705) is 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-chlorophenyl]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-chlorophenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine is CC(C)(C)c1ccnc(-c2ccc(-c3ccccc3-c3cc(Cl)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-chlorophenyl]phenyl]phenyl]pyridine?
The InChIKey is TZLJRFMUSSWROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H43ClN2/c1-47(2,3)38-23-25-50-45(30-38)34-19-15-32(16-20-34)41-11-7-9-13-43(41)36-27-37(29-40(49)28-36)44-14-10-8-12-42(44)33-17-21-35(22-18-33)46-31-39(24-26-51-46)48(4,5)6/h7-31H,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-chlorophenyl]phenyl]phenyl]pyridine?
4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine has a molecular weight of 683.34 g/mol, XLogP of 13.73, 6 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-chlorophenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 122487705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).