5-[2-[3,5-bis[2-[6-(4-tert-butylphenyl)-3-pyridinyl]phenyl]-4-methylphenyl]phenyl]-2-(4-tert-butyl-3-methylphenyl)pyridine

C71H67N3 — CID 139352164

IUPAC5-[2-[3,5-bis[2-[6-(4-tert-butylphenyl)-3-pyridinyl]phenyl]-4-methylphenyl]phenyl]-2-(4-tert-butyl-3-methylphenyl)pyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(C(C)(C)C)cc5)nc4)c(C)c(-c4ccccc4-c4ccc(-c5ccc(C(C)(C)C)cc5)nc4)c3)cn2)ccc1C(C)(C)C
InChIInChI=1S/C71H67N3/c1-46-40-50(28-36-65(46)71(9,10)11)68-39-31-51(43-74-68)57-18-12-13-21-60(57)54-41-63(61-22-16-14-19-58(61)52-29-37-66(72-44-52)48-24-32-55(33-25-48)69(3,4)5)47(2)64(42-54)62-23-17-15-20-59(62)53-30-38-67(73-45-53)49-26-34-56(35-27-49)70(6,7)8/h12-45H,1-11H3
InChIKeyNHSZKAMHKVZCHV-UHFFFAOYSA-N
MW962.34 g/mol
LogP19.38
Rot. Bonds9

About 5-[2-[3,5-bis[2-[6-(4-tert-butylphenyl)-3-pyridinyl]phenyl]-4-methylphenyl]phenyl]-2-(4-tert-butyl-3-methylphenyl)pyridine

5-[2-[3,5-bis[2-[6-(4-tert-butylphenyl)-3-pyridinyl]phenyl]-4-methylphenyl]phenyl]-2-(4-tert-butyl-3-methylphenyl)pyridine (PubChem CID 139352164) has the molecular formula C71H67N3 and a molecular weight of 962.34 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-[6-(4-tert-butylphenyl)-3-pyridinyl]phenyl]-4-methylphenyl]phenyl]-2-(4-tert-butyl-3-methylphenyl)pyridine.

Molecular Properties

Compound Name5-[2-[3,5-bis[2-[6-(4-tert-butylphenyl)-3-pyridinyl]phenyl]-4-methylphenyl]phenyl]-2-(4-tert-butyl-3-methylphenyl)pyridine
PubChem CID139352164
Molecular FormulaC71H67N3
Molecular Weight962.34 g/mol
Exact Mass961.53
IUPAC Name5-[2-[3,5-bis[2-[6-(4-tert-butylphenyl)-3-pyridinyl]phenyl]-4-methylphenyl]phenyl]-2-(4-tert-butyl-3-methylphenyl)pyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(C(C)(C)C)cc5)nc4)c(C)c(-c4ccccc4-c4ccc(-c5ccc(C(C)(C)C)cc5)nc4)c3)cn2)ccc1C(C)(C)C
InChIInChI=1S/C71H67N3/c1-46-40-50(28-36-65(46)71(9,10)11)68-39-31-51(43-74-68)57-18-12-13-21-60(57)54-41-63(61-22-16-14-19-58(61)52-29-37-66(72-44-52)48-24-32-55(33-25-48)69(3,4)5)47(2)64(42-54)62-23-17-15-20-59(62)53-30-38-67(73-45-53)49-26-34-56(35-27-49)70(6,7)8/h12-45H,1-11H3
InChIKeyNHSZKAMHKVZCHV-UHFFFAOYSA-N
XLogP19.38
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.34
LogP ≤ 519.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-[6-(4-tert-butylphenyl)-3-pyridinyl]phenyl]-4-methylphenyl]phenyl]-2-(4-tert-butyl-3-methylphenyl)pyridine?
The IUPAC name of 5-[2-[3,5-bis[2-[6-(4-tert-butylphenyl)-3-pyridinyl]phenyl]-4-methylphenyl]phenyl]-2-(4-tert-butyl-3-methylphenyl)pyridine (CID 139352164) is 5-[2-[3,5-bis[2-[6-(4-tert-butylphenyl)-3-pyridinyl]phenyl]-4-methylphenyl]phenyl]-2-(4-tert-butyl-3-methylphenyl)pyridine.
What is the SMILES notation for 5-[2-[3,5-bis[2-[6-(4-tert-butylphenyl)-3-pyridinyl]phenyl]-4-methylphenyl]phenyl]-2-(4-tert-butyl-3-methylphenyl)pyridine?
The canonical SMILES for 5-[2-[3,5-bis[2-[6-(4-tert-butylphenyl)-3-pyridinyl]phenyl]-4-methylphenyl]phenyl]-2-(4-tert-butyl-3-methylphenyl)pyridine is Cc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(C(C)(C)C)cc5)nc4)c(C)c(-c4ccccc4-c4ccc(-c5ccc(C(C)(C)C)cc5)nc4)c3)cn2)ccc1C(C)(C)C.
What is the InChIKey of 5-[2-[3,5-bis[2-[6-(4-tert-butylphenyl)-3-pyridinyl]phenyl]-4-methylphenyl]phenyl]-2-(4-tert-butyl-3-methylphenyl)pyridine?
The InChIKey is NHSZKAMHKVZCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H67N3/c1-46-40-50(28-36-65(46)71(9,10)11)68-39-31-51(43-74-68)57-18-12-13-21-60(57)54-41-63(61-22-16-14-19-58(61)52-29-37-66(72-44-52)48-24-32-55(33-25-48)69(3,4)5)47(2)64(42-54)62-23-17-15-20-59(62)53-30-38-67(73-45-53)49-26-34-56(35-27-49)70(6,7)8/h12-45H,1-11H3.
What are the key properties of 5-[2-[3,5-bis[2-[6-(4-tert-butylphenyl)-3-pyridinyl]phenyl]-4-methylphenyl]phenyl]-2-(4-tert-butyl-3-methylphenyl)pyridine?
5-[2-[3,5-bis[2-[6-(4-tert-butylphenyl)-3-pyridinyl]phenyl]-4-methylphenyl]phenyl]-2-(4-tert-butyl-3-methylphenyl)pyridine has a molecular weight of 962.34 g/mol, XLogP of 19.38, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-[6-(4-tert-butylphenyl)-3-pyridinyl]phenyl]-4-methylphenyl]phenyl]-2-(4-tert-butyl-3-methylphenyl)pyridine is sourced from PubChem (CID 139352164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).