5,8-ditert-butyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-3-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-4-ylphenyl)quinoxaline

C134H108N16 — CID 157339498

IUPAC5,8-ditert-butyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-3-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-4-ylphenyl)quinoxaline
SMILESCC(C)(C)c1ccc(C(C)(C)C)c2nc(-c3ccc(-c4ccccn4)cc3)c(-c3ccc(-c4ccccn4)cc3)nc12.Cc1ccc(C)c2nc(-c3ccc(-c4ccccn4)cc3)c(-c3ccc(-c4ccccn4)cc3)nc12.Cc1ccc(C)c2nc(-c3ccc(-c4cccnc4)cc3)c(-c3ccc(-c4cccnc4)cc3)nc12.Cc1ccc(C)c2nc(-c3ccc(-c4ccncc4)cc3)c(-c3ccc(-c4ccncc4)cc3)nc12
InChIInChI=1S/C38H36N4.3C32H24N4/c1-37(2,3)29-21-22-30(38(4,5)6)36-35(29)41-33(27-17-13-25(14-18-27)31-11-7-9-23-39-31)34(42-36)28-19-15-26(16-20-28)32-12-8-10-24-40-32;1-21-7-8-22(2)30-29(21)35-31(25-13-9-23(10-14-25)27-5-3-17-33-19-27)32(36-30)26-15-11-24(12-16-26)28-6-4-18-34-20-28;1-21-9-10-22(2)30-29(21)35-31(25-15-11-23(12-16-25)27-7-3-5-19-33-27)32(36-30)26-17-13-24(14-18-26)28-8-4-6-20-34-28;1-21-3-4-22(2)30-29(21)35-31(27-9-5-23(6-10-27)25-13-17-33-18-14-25)32(36-30)28-11-7-24(8-12-28)26-15-19-34-20-16-26/h7-24H,1-6H3;3*3-20H,1-2H3
InChIKeyBGFRCHMPQBSDRH-UHFFFAOYSA-N
MW1942.45 g/mol
LogP32.80
Rot. Bonds16

About 5,8-ditert-butyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-3-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-4-ylphenyl)quinoxaline

5,8-ditert-butyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-3-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-4-ylphenyl)quinoxaline (PubChem CID 157339498) has the molecular formula C134H108N16 and a molecular weight of 1942.45 g/mol. Its IUPAC name is 5,8-ditert-butyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-3-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-4-ylphenyl)quinoxaline.

Molecular Properties

Compound Name5,8-ditert-butyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-3-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-4-ylphenyl)quinoxaline
PubChem CID157339498
Molecular FormulaC134H108N16
Molecular Weight1942.45 g/mol
Exact Mass1940.89
IUPAC Name5,8-ditert-butyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-3-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-4-ylphenyl)quinoxaline
SMILESCC(C)(C)c1ccc(C(C)(C)C)c2nc(-c3ccc(-c4ccccn4)cc3)c(-c3ccc(-c4ccccn4)cc3)nc12.Cc1ccc(C)c2nc(-c3ccc(-c4ccccn4)cc3)c(-c3ccc(-c4ccccn4)cc3)nc12.Cc1ccc(C)c2nc(-c3ccc(-c4cccnc4)cc3)c(-c3ccc(-c4cccnc4)cc3)nc12.Cc1ccc(C)c2nc(-c3ccc(-c4ccncc4)cc3)c(-c3ccc(-c4ccncc4)cc3)nc12
InChIInChI=1S/C38H36N4.3C32H24N4/c1-37(2,3)29-21-22-30(38(4,5)6)36-35(29)41-33(27-17-13-25(14-18-27)31-11-7-9-23-39-31)34(42-36)28-19-15-26(16-20-28)32-12-8-10-24-40-32;1-21-7-8-22(2)30-29(21)35-31(25-13-9-23(10-14-25)27-5-3-17-33-19-27)32(36-30)26-15-11-24(12-16-26)28-6-4-18-34-20-28;1-21-9-10-22(2)30-29(21)35-31(25-15-11-23(12-16-25)27-7-3-5-19-33-27)32(36-30)26-17-13-24(14-18-26)28-8-4-6-20-34-28;1-21-3-4-22(2)30-29(21)35-31(27-9-5-23(6-10-27)25-13-17-33-18-14-25)32(36-30)28-11-7-24(8-12-28)26-15-19-34-20-16-26/h7-24H,1-6H3;3*3-20H,1-2H3
InChIKeyBGFRCHMPQBSDRH-UHFFFAOYSA-N
XLogP32.80
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001942.45
LogP ≤ 532.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 5,8-ditert-butyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-3-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-4-ylphenyl)quinoxaline with MolForge

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Related Compounds

6-methyl-3,5,8-triphenyl-2-(4-pyridin-2-ylphenyl)quinoxaline;6-methyl-3,5,8-triphenyl-2-(4-pyridin-3-ylphenyl)quinoxaline;6-methyl-3,5,8-triphenyl-2-(4-pyridin-4-ylphenyl)quinoxaline
CID 159716614
bis(2-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine);3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine;4-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine
CID 167601942
7,14-dimethyl-6,13-bis(4-pyridin-2-ylphenyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-bis(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridine
CID 160707890
2-[4-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 58568854
5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline
CID 21026689
2-(4-methylnaphthalen-1-yl)pyridine;2-(6-methylnaphthalen-2-yl)pyridine;3-(4-methylnaphthalen-1-yl)pyridine;3-(6-methylnaphthalen-2-yl)pyridine;4-(4-methylnaphthalen-1-yl)pyridine;2-(3-methylphenyl)pyridine;2-(4-methylphenyl)pyridine;3-(3-methylphenyl)pyridine;3-(4-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
CID 161437395
2-(3-phenyl-5-propan-2-ylphenyl)pyridine;3-(3-phenyl-5-propan-2-ylphenyl)pyridine;2-(3-propan-2-yl-5-pyridin-2-ylphenyl)pyridine;2-(3-propan-2-yl-5-pyridin-3-ylphenyl)pyridine;2-(3-propan-2-yl-5-pyridin-4-ylphenyl)pyridine;3-(3-propan-2-yl-5-pyridin-3-ylphenyl)pyridine;3-(3-propan-2-yl-5-pyridin-4-ylphenyl)pyridine
CID 158633423
2-methyl-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-methyl-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 162225760
6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;6,7-dinaphthalen-2-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;6,7-dinaphthalen-2-yl-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-dinaphthalen-2-yl-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;2-phenyl-6,7-bis(4-phenylphenyl)-3-(4-pyridin-2-ylphenyl)quinoxaline
CID 159175615
2-(3-phenylphenyl)-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-(3-phenylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;2,4,6-tris(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 158115571
4-(3,5-diphenylphenyl)-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-methyl-4,6-dipyridin-4-ylpyrimidine;2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-pyridin-4-ylpyrimidine;2-methyl-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 159471175
6,7-bis(9,9-dimethylfluoren-2-yl)-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;6,7-bis(3,5-dimethylphenyl)-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-bis(3,5-dimethylphenyl)-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;2-phenyl-3-(4-pyridin-2-ylphenyl)-6,7-bis(2,4,6-trimethylphenyl)quinoxaline;2-phenyl-3-(4-pyridin-3-ylphenyl)-6,7-bis(2,4,6-trimethylphenyl)quinoxaline;2-phenyl-3-(4-pyridin-4-ylphenyl)-6,7-bis(2,4,6-trimethylphenyl)quinoxaline
CID 158420583

Frequently Asked Questions

What is the IUPAC name of 5,8-ditert-butyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-3-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-4-ylphenyl)quinoxaline?
The IUPAC name of 5,8-ditert-butyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-3-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-4-ylphenyl)quinoxaline (CID 157339498) is 5,8-ditert-butyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-3-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-4-ylphenyl)quinoxaline.
What is the SMILES notation for 5,8-ditert-butyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-3-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-4-ylphenyl)quinoxaline?
The canonical SMILES for 5,8-ditert-butyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-3-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-4-ylphenyl)quinoxaline is CC(C)(C)c1ccc(C(C)(C)C)c2nc(-c3ccc(-c4ccccn4)cc3)c(-c3ccc(-c4ccccn4)cc3)nc12.Cc1ccc(C)c2nc(-c3ccc(-c4ccccn4)cc3)c(-c3ccc(-c4ccccn4)cc3)nc12.Cc1ccc(C)c2nc(-c3ccc(-c4cccnc4)cc3)c(-c3ccc(-c4cccnc4)cc3)nc12.Cc1ccc(C)c2nc(-c3ccc(-c4ccncc4)cc3)c(-c3ccc(-c4ccncc4)cc3)nc12.
What is the InChIKey of 5,8-ditert-butyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-3-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-4-ylphenyl)quinoxaline?
The InChIKey is BGFRCHMPQBSDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N4.3C32H24N4/c1-37(2,3)29-21-22-30(38(4,5)6)36-35(29)41-33(27-17-13-25(14-18-27)31-11-7-9-23-39-31)34(42-36)28-19-15-26(16-20-28)32-12-8-10-24-40-32;1-21-7-8-22(2)30-29(21)35-31(25-13-9-23(10-14-25)27-5-3-17-33-19-27)32(36-30)26-15-11-24(12-16-26)28-6-4-18-34-20-28;1-21-9-10-22(2)30-29(21)35-31(25-15-11-23(12-16-25)27-7-3-5-19-33-27)32(36-30)26-17-13-24(14-18-26)28-8-4-6-20-34-28;1-21-3-4-22(2)30-29(21)35-31(27-9-5-23(6-10-27)25-13-17-33-18-14-25)32(36-30)28-11-7-24(8-12-28)26-15-19-34-20-16-26/h7-24H,1-6H3;3*3-20H,1-2H3.
What are the key properties of 5,8-ditert-butyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-3-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-4-ylphenyl)quinoxaline?
5,8-ditert-butyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-3-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-4-ylphenyl)quinoxaline has a molecular weight of 1942.45 g/mol, XLogP of 32.80, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-ditert-butyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-2-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-3-ylphenyl)quinoxaline;5,8-dimethyl-2,3-bis(4-pyridin-4-ylphenyl)quinoxaline is sourced from PubChem (CID 157339498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).