2,3-bis(2,5-dimethyl-4-pyridin-3-ylphenyl)quinoxaline;2,3-bis(2,5-dimethyl-4-pyridin-4-ylphenyl)quinoxaline;2,3-bis(4-pyridin-2-ylnaphthalen-1-yl)quinoxaline;2,3-bis(4-pyridin-3-ylnaphthalen-1-yl)quinoxaline

C144H104N16 — CID 161175123

IUPAC2,3-bis(2,5-dimethyl-4-pyridin-3-ylphenyl)quinoxaline;2,3-bis(2,5-dimethyl-4-pyridin-4-ylphenyl)quinoxaline;2,3-bis(4-pyridin-2-ylnaphthalen-1-yl)quinoxaline;2,3-bis(4-pyridin-3-ylnaphthalen-1-yl)quinoxaline
SMILESCc1cc(-c2nc3ccccc3nc2-c2cc(C)c(-c3cccnc3)cc2C)c(C)cc1-c1cccnc1.Cc1cc(-c2nc3ccccc3nc2-c2cc(C)c(-c3ccncc3)cc2C)c(C)cc1-c1ccncc1.c1ccc(-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4ccccn4)c4ccccc34)c3ccccc23)nc1.c1cncc(-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4cccnc4)c4ccccc34)c3ccccc23)c1
InChIInChI=1S/2C38H24N4.2C34H28N4/c1-3-13-27-25(11-1)29(33-15-7-9-23-39-33)19-21-31(27)37-38(42-36-18-6-5-17-35(36)41-37)32-22-20-30(34-16-8-10-24-40-34)26-12-2-4-14-28(26)32;1-3-13-31-29(11-1)27(25-9-7-21-39-23-25)17-19-33(31)37-38(42-36-16-6-5-15-35(36)41-37)34-20-18-28(26-10-8-22-40-24-26)30-12-2-4-14-32(30)34;1-21-17-29(23(3)15-27(21)25-9-7-13-35-19-25)33-34(38-32-12-6-5-11-31(32)37-33)30-18-22(2)28(16-24(30)4)26-10-8-14-36-20-26;1-21-19-29(23(3)17-27(21)25-9-13-35-14-10-25)33-34(38-32-8-6-5-7-31(32)37-33)30-20-22(2)28(18-24(30)4)26-11-15-36-16-12-26/h2*1-24H;2*5-20H,1-4H3
InChIKeyURRVWVDGUFVXRT-UHFFFAOYSA-N
MW2058.53 g/mol
LogP35.43
Rot. Bonds16

About 2,3-bis(2,5-dimethyl-4-pyridin-3-ylphenyl)quinoxaline;2,3-bis(2,5-dimethyl-4-pyridin-4-ylphenyl)quinoxaline;2,3-bis(4-pyridin-2-ylnaphthalen-1-yl)quinoxaline;2,3-bis(4-pyridin-3-ylnaphthalen-1-yl)quinoxaline

2,3-bis(2,5-dimethyl-4-pyridin-3-ylphenyl)quinoxaline;2,3-bis(2,5-dimethyl-4-pyridin-4-ylphenyl)quinoxaline;2,3-bis(4-pyridin-2-ylnaphthalen-1-yl)quinoxaline;2,3-bis(4-pyridin-3-ylnaphthalen-1-yl)quinoxaline (PubChem CID 161175123) has the molecular formula C144H104N16 and a molecular weight of 2058.53 g/mol. Its IUPAC name is 2,3-bis(2,5-dimethyl-4-pyridin-3-ylphenyl)quinoxaline;2,3-bis(2,5-dimethyl-4-pyridin-4-ylphenyl)quinoxaline;2,3-bis(4-pyridin-2-ylnaphthalen-1-yl)quinoxaline;2,3-bis(4-pyridin-3-ylnaphthalen-1-yl)quinoxaline.

Molecular Properties

Compound Name2,3-bis(2,5-dimethyl-4-pyridin-3-ylphenyl)quinoxaline;2,3-bis(2,5-dimethyl-4-pyridin-4-ylphenyl)quinoxaline;2,3-bis(4-pyridin-2-ylnaphthalen-1-yl)quinoxaline;2,3-bis(4-pyridin-3-ylnaphthalen-1-yl)quinoxaline
PubChem CID161175123
Molecular FormulaC144H104N16
Molecular Weight2058.53 g/mol
Exact Mass2056.86
IUPAC Name2,3-bis(2,5-dimethyl-4-pyridin-3-ylphenyl)quinoxaline;2,3-bis(2,5-dimethyl-4-pyridin-4-ylphenyl)quinoxaline;2,3-bis(4-pyridin-2-ylnaphthalen-1-yl)quinoxaline;2,3-bis(4-pyridin-3-ylnaphthalen-1-yl)quinoxaline
SMILESCc1cc(-c2nc3ccccc3nc2-c2cc(C)c(-c3cccnc3)cc2C)c(C)cc1-c1cccnc1.Cc1cc(-c2nc3ccccc3nc2-c2cc(C)c(-c3ccncc3)cc2C)c(C)cc1-c1ccncc1.c1ccc(-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4ccccn4)c4ccccc34)c3ccccc23)nc1.c1cncc(-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4cccnc4)c4ccccc34)c3ccccc23)c1
InChIInChI=1S/2C38H24N4.2C34H28N4/c1-3-13-27-25(11-1)29(33-15-7-9-23-39-33)19-21-31(27)37-38(42-36-18-6-5-17-35(36)41-37)32-22-20-30(34-16-8-10-24-40-34)26-12-2-4-14-28(26)32;1-3-13-31-29(11-1)27(25-9-7-21-39-23-25)17-19-33(31)37-38(42-36-16-6-5-15-35(36)41-37)34-20-18-28(26-10-8-22-40-24-26)30-12-2-4-14-32(30)34;1-21-17-29(23(3)15-27(21)25-9-7-13-35-19-25)33-34(38-32-12-6-5-11-31(32)37-33)30-18-22(2)28(16-24(30)4)26-10-8-14-36-20-26;1-21-19-29(23(3)17-27(21)25-9-13-35-14-10-25)33-34(38-32-8-6-5-7-31(32)37-33)30-20-22(2)28(18-24(30)4)26-11-15-36-16-12-26/h2*1-24H;2*5-20H,1-4H3
InChIKeyURRVWVDGUFVXRT-UHFFFAOYSA-N
XLogP35.43
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002058.53
LogP ≤ 535.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2,3-bis(2,5-dimethyl-4-pyridin-3-ylphenyl)quinoxaline;2,3-bis(2,5-dimethyl-4-pyridin-4-ylphenyl)quinoxaline;2,3-bis(4-pyridin-2-ylnaphthalen-1-yl)quinoxaline;2,3-bis(4-pyridin-3-ylnaphthalen-1-yl)quinoxaline with MolForge

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Related Compounds

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-[2,5-dimethyl-4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-3-phenylquinoxaline
CID 164771460
2,4-diphenyl-6-[4-(5-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-(5-pyridin-3-yl-2-pyridinyl)naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-(5-pyridin-4-yl-2-pyridinyl)naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-(6-pyridin-2-yl-3-pyridinyl)naphthalen-1-yl]-1,3,5-triazine
CID 162259732
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
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
2-(4-methyl-5-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 146397355
4-[2-[12-(1-pyridin-4-ylnaphthalen-2-yl)tetracen-5-yl]naphthalen-1-yl]pyridine;2-[2-[12-(2-pyridin-2-ylphenyl)tetracen-5-yl]phenyl]pyridine;3-[2-[12-(2-pyridin-3-ylphenyl)tetracen-5-yl]phenyl]pyridine;4-[2-[12-(2-pyridin-4-ylphenyl)tetracen-5-yl]phenyl]pyridine
CID 158170790
2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline
CID 164771476
2-(2,5-dimethyl-4-phenylphenyl)-4-(2-methyl-4-pyridin-2-ylphenyl)-6-[3-phenanthren-9-yl-5-(4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 122416167
6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline
CID 159856241
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
3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine
CID 152822837

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2,5-dimethyl-4-pyridin-3-ylphenyl)quinoxaline;2,3-bis(2,5-dimethyl-4-pyridin-4-ylphenyl)quinoxaline;2,3-bis(4-pyridin-2-ylnaphthalen-1-yl)quinoxaline;2,3-bis(4-pyridin-3-ylnaphthalen-1-yl)quinoxaline?
The IUPAC name of 2,3-bis(2,5-dimethyl-4-pyridin-3-ylphenyl)quinoxaline;2,3-bis(2,5-dimethyl-4-pyridin-4-ylphenyl)quinoxaline;2,3-bis(4-pyridin-2-ylnaphthalen-1-yl)quinoxaline;2,3-bis(4-pyridin-3-ylnaphthalen-1-yl)quinoxaline (CID 161175123) is 2,3-bis(2,5-dimethyl-4-pyridin-3-ylphenyl)quinoxaline;2,3-bis(2,5-dimethyl-4-pyridin-4-ylphenyl)quinoxaline;2,3-bis(4-pyridin-2-ylnaphthalen-1-yl)quinoxaline;2,3-bis(4-pyridin-3-ylnaphthalen-1-yl)quinoxaline.
What is the SMILES notation for 2,3-bis(2,5-dimethyl-4-pyridin-3-ylphenyl)quinoxaline;2,3-bis(2,5-dimethyl-4-pyridin-4-ylphenyl)quinoxaline;2,3-bis(4-pyridin-2-ylnaphthalen-1-yl)quinoxaline;2,3-bis(4-pyridin-3-ylnaphthalen-1-yl)quinoxaline?
The canonical SMILES for 2,3-bis(2,5-dimethyl-4-pyridin-3-ylphenyl)quinoxaline;2,3-bis(2,5-dimethyl-4-pyridin-4-ylphenyl)quinoxaline;2,3-bis(4-pyridin-2-ylnaphthalen-1-yl)quinoxaline;2,3-bis(4-pyridin-3-ylnaphthalen-1-yl)quinoxaline is Cc1cc(-c2nc3ccccc3nc2-c2cc(C)c(-c3cccnc3)cc2C)c(C)cc1-c1cccnc1.Cc1cc(-c2nc3ccccc3nc2-c2cc(C)c(-c3ccncc3)cc2C)c(C)cc1-c1ccncc1.c1ccc(-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4ccccn4)c4ccccc34)c3ccccc23)nc1.c1cncc(-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4cccnc4)c4ccccc34)c3ccccc23)c1.
What is the InChIKey of 2,3-bis(2,5-dimethyl-4-pyridin-3-ylphenyl)quinoxaline;2,3-bis(2,5-dimethyl-4-pyridin-4-ylphenyl)quinoxaline;2,3-bis(4-pyridin-2-ylnaphthalen-1-yl)quinoxaline;2,3-bis(4-pyridin-3-ylnaphthalen-1-yl)quinoxaline?
The InChIKey is URRVWVDGUFVXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H24N4.2C34H28N4/c1-3-13-27-25(11-1)29(33-15-7-9-23-39-33)19-21-31(27)37-38(42-36-18-6-5-17-35(36)41-37)32-22-20-30(34-16-8-10-24-40-34)26-12-2-4-14-28(26)32;1-3-13-31-29(11-1)27(25-9-7-21-39-23-25)17-19-33(31)37-38(42-36-16-6-5-15-35(36)41-37)34-20-18-28(26-10-8-22-40-24-26)30-12-2-4-14-32(30)34;1-21-17-29(23(3)15-27(21)25-9-7-13-35-19-25)33-34(38-32-12-6-5-11-31(32)37-33)30-18-22(2)28(16-24(30)4)26-10-8-14-36-20-26;1-21-19-29(23(3)17-27(21)25-9-13-35-14-10-25)33-34(38-32-8-6-5-7-31(32)37-33)30-20-22(2)28(18-24(30)4)26-11-15-36-16-12-26/h2*1-24H;2*5-20H,1-4H3.
What are the key properties of 2,3-bis(2,5-dimethyl-4-pyridin-3-ylphenyl)quinoxaline;2,3-bis(2,5-dimethyl-4-pyridin-4-ylphenyl)quinoxaline;2,3-bis(4-pyridin-2-ylnaphthalen-1-yl)quinoxaline;2,3-bis(4-pyridin-3-ylnaphthalen-1-yl)quinoxaline?
2,3-bis(2,5-dimethyl-4-pyridin-3-ylphenyl)quinoxaline;2,3-bis(2,5-dimethyl-4-pyridin-4-ylphenyl)quinoxaline;2,3-bis(4-pyridin-2-ylnaphthalen-1-yl)quinoxaline;2,3-bis(4-pyridin-3-ylnaphthalen-1-yl)quinoxaline has a molecular weight of 2058.53 g/mol, XLogP of 35.43, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2,5-dimethyl-4-pyridin-3-ylphenyl)quinoxaline;2,3-bis(2,5-dimethyl-4-pyridin-4-ylphenyl)quinoxaline;2,3-bis(4-pyridin-2-ylnaphthalen-1-yl)quinoxaline;2,3-bis(4-pyridin-3-ylnaphthalen-1-yl)quinoxaline is sourced from PubChem (CID 161175123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).