5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline

C36H31N3 — CID 171751604

IUPAC5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline
SMILESCc1c(-c2ccccc2)cccc1-c1ccc(-c2cccc(-c3cc(C(C)(C)C)ccn3)c2)c2nccnc12
InChIInChI=1S/C36H31N3/c1-24-29(25-10-6-5-7-11-25)14-9-15-30(24)32-17-16-31(34-35(32)39-21-20-38-34)26-12-8-13-27(22-26)33-23-28(18-19-37-33)36(2,3)4/h5-23H,1-4H3
InChIKeyUKBPCMHBMXRWSA-UHFFFAOYSA-N
MW505.67 g/mol
LogP9.30
Rot. Bonds4

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

5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline (PubChem CID 171751604) has the molecular formula C36H31N3 and a molecular weight of 505.67 g/mol. Its IUPAC name is 5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline.

Molecular Properties

Compound Name5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline
PubChem CID171751604
Molecular FormulaC36H31N3
Molecular Weight505.67 g/mol
Exact Mass505.25
IUPAC Name5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline
SMILESCc1c(-c2ccccc2)cccc1-c1ccc(-c2cccc(-c3cc(C(C)(C)C)ccn3)c2)c2nccnc12
InChIInChI=1S/C36H31N3/c1-24-29(25-10-6-5-7-11-25)14-9-15-30(24)32-17-16-31(34-35(32)39-21-20-38-34)26-12-8-13-27(22-26)33-23-28(18-19-37-33)36(2,3)4/h5-23H,1-4H3
InChIKeyUKBPCMHBMXRWSA-UHFFFAOYSA-N
XLogP9.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.67
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2,4-dimethylphenyl)quinoxaline
CID 171751482
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline
CID 171751639
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline
CID 171751706
4-(4-tert-butyl-2-pyridinyl)-19-methyl-8-azatetracyclo[13.3.1.02,7.09,14]nonadeca-1(18),2(7),3,5,9,11,13,15(19),16-nonaene
CID 168766397
8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)-2-phenylquinoline
CID 171751766
2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine
CID 167252790
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
5-[3-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]-8-(2-methyl-3-phenylphenyl)-3-phenylquinoline;iridium;4-methyl-2-phenylpyridine
CID 171751497
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-[3-bromo-4-[2-[4-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]phenyl]-4-tert-butylpyridine
CID 147125965

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline?
The IUPAC name of 5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline (CID 171751604) is 5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline.
What is the SMILES notation for 5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline?
The canonical SMILES for 5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline is Cc1c(-c2ccccc2)cccc1-c1ccc(-c2cccc(-c3cc(C(C)(C)C)ccn3)c2)c2nccnc12.
What is the InChIKey of 5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline?
The InChIKey is UKBPCMHBMXRWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N3/c1-24-29(25-10-6-5-7-11-25)14-9-15-30(24)32-17-16-31(34-35(32)39-21-20-38-34)26-12-8-13-27(22-26)33-23-28(18-19-37-33)36(2,3)4/h5-23H,1-4H3.
What are the key properties of 5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline?
5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline has a molecular weight of 505.67 g/mol, XLogP of 9.30, 4 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-methyl-3-phenylphenyl)quinoxaline is sourced from PubChem (CID 171751604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).