5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2,4-dimethylphenyl)quinoxaline

C31H29N3 — CID 171751482

IUPAC5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2,4-dimethylphenyl)quinoxaline
SMILESCc1ccc(-c2ccc(-c3cccc(-c4cc(C(C)(C)C)ccn4)c3)c3nccnc23)c(C)c1
InChIInChI=1S/C31H29N3/c1-20-9-10-25(21(2)17-20)27-12-11-26(29-30(27)34-16-15-33-29)22-7-6-8-23(18-22)28-19-24(13-14-32-28)31(3,4)5/h6-19H,1-5H3
InChIKeyTYKNEEWGHHJKTH-UHFFFAOYSA-N
MW443.59 g/mol
LogP7.94
Rot. Bonds3

About 5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2,4-dimethylphenyl)quinoxaline

5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2,4-dimethylphenyl)quinoxaline (PubChem CID 171751482) has the molecular formula C31H29N3 and a molecular weight of 443.59 g/mol. Its IUPAC name is 5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2,4-dimethylphenyl)quinoxaline.

Molecular Properties

Compound Name5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2,4-dimethylphenyl)quinoxaline
PubChem CID171751482
Molecular FormulaC31H29N3
Molecular Weight443.59 g/mol
Exact Mass443.24
IUPAC Name5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2,4-dimethylphenyl)quinoxaline
SMILESCc1ccc(-c2ccc(-c3cccc(-c4cc(C(C)(C)C)ccn4)c3)c3nccnc23)c(C)c1
InChIInChI=1S/C31H29N3/c1-20-9-10-25(21(2)17-20)27-12-11-26(29-30(27)34-16-15-33-29)22-7-6-8-23(18-22)28-19-24(13-14-32-28)31(3,4)5/h6-19H,1-5H3
InChIKeyTYKNEEWGHHJKTH-UHFFFAOYSA-N
XLogP7.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline
CID 171751706
8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)-2-phenylquinoline
CID 171751766
5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline
CID 171751604
5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline
CID 171751639
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine
CID 140838950
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene
CID 90996196
8-[3-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]-5-[3-(2,4-dimethylphenyl)-5-phenylphenyl]-2-phenylquinoxaline;iridium;4-methyl-2-phenylpyridine
CID 171751737
5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(6-methyl-3-pyridinyl)isoquinoline
CID 171751572
2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-phenylpyridine
CID 140838831
2-(2,4-dimethylphenyl)-4-phenylpyridine
CID 166502806

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2,4-dimethylphenyl)quinoxaline?
The IUPAC name of 5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2,4-dimethylphenyl)quinoxaline (CID 171751482) is 5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2,4-dimethylphenyl)quinoxaline.
What is the SMILES notation for 5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2,4-dimethylphenyl)quinoxaline?
The canonical SMILES for 5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2,4-dimethylphenyl)quinoxaline is Cc1ccc(-c2ccc(-c3cccc(-c4cc(C(C)(C)C)ccn4)c3)c3nccnc23)c(C)c1.
What is the InChIKey of 5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2,4-dimethylphenyl)quinoxaline?
The InChIKey is TYKNEEWGHHJKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3/c1-20-9-10-25(21(2)17-20)27-12-11-26(29-30(27)34-16-15-33-29)22-7-6-8-23(18-22)28-19-24(13-14-32-28)31(3,4)5/h6-19H,1-5H3.
What are the key properties of 5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2,4-dimethylphenyl)quinoxaline?
5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2,4-dimethylphenyl)quinoxaline has a molecular weight of 443.59 g/mol, XLogP of 7.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2,4-dimethylphenyl)quinoxaline is sourced from PubChem (CID 171751482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).