5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline

C34H34N2 — CID 171751639

IUPAC5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline
SMILESCC(C)(C)c1cccc(-c2ccc(-c3cccc(-c4cc(C(C)(C)C)ccn4)c3)c3ncccc23)c1
InChIInChI=1S/C34H34N2/c1-33(2,3)26-13-8-11-24(21-26)28-15-16-29(32-30(28)14-9-18-36-32)23-10-7-12-25(20-23)31-22-27(17-19-35-31)34(4,5)6/h7-22H,1-6H3
InChIKeyITYYFQVQLUQNAF-UHFFFAOYSA-N
MW470.66 g/mol
LogP9.23
Rot. Bonds3

About 5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline

5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline (PubChem CID 171751639) has the molecular formula C34H34N2 and a molecular weight of 470.66 g/mol. Its IUPAC name is 5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline.

Molecular Properties

Compound Name5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline
PubChem CID171751639
Molecular FormulaC34H34N2
Molecular Weight470.66 g/mol
Exact Mass470.27
IUPAC Name5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline
SMILESCC(C)(C)c1cccc(-c2ccc(-c3cccc(-c4cc(C(C)(C)C)ccn4)c3)c3ncccc23)c1
InChIInChI=1S/C34H34N2/c1-33(2,3)26-13-8-11-24(21-26)28-15-16-29(32-30(28)14-9-18-36-32)23-10-7-12-25(20-23)31-22-27(17-19-35-31)34(4,5)6/h7-22H,1-6H3
InChIKeyITYYFQVQLUQNAF-UHFFFAOYSA-N
XLogP9.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline
CID 171751706
5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2,4-dimethylphenyl)quinoxaline
CID 171751482
5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline
CID 171751604
5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(6-methyl-3-pyridinyl)isoquinoline
CID 171751572
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-9H-carbazole
CID 140902425
8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)-2-phenylquinoline
CID 171751766
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine
CID 153439025
8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline
CID 153428997
8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline
CID 167027860
4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine
CID 166575883

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline?
The IUPAC name of 5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline (CID 171751639) is 5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline.
What is the SMILES notation for 5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline?
The canonical SMILES for 5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline is CC(C)(C)c1cccc(-c2ccc(-c3cccc(-c4cc(C(C)(C)C)ccn4)c3)c3ncccc23)c1.
What is the InChIKey of 5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline?
The InChIKey is ITYYFQVQLUQNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2/c1-33(2,3)26-13-8-11-24(21-26)28-15-16-29(32-30(28)14-9-18-36-32)23-10-7-12-25(20-23)31-22-27(17-19-35-31)34(4,5)6/h7-22H,1-6H3.
What are the key properties of 5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline?
5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline has a molecular weight of 470.66 g/mol, XLogP of 9.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline is sourced from PubChem (CID 171751639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).