5,8-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-bis(4-methoxyphenyl)quinoxaline

C64H44N8O2 — CID 170556563

IUPAC5,8-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-bis(4-methoxyphenyl)quinoxaline
SMILESCOc1ccc(-c2nc3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)ccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C64H44N8O2/c1-73-49-27-23-45(24-28-49)61-62(46-25-29-50(74-2)30-26-46)72-64-52(44-21-17-42(18-22-44)48-39-59(55-13-5-9-35-67-55)70-60(40-48)56-14-6-10-36-68-56)32-31-51(63(64)71-61)43-19-15-41(16-20-43)47-37-57(53-11-3-7-33-65-53)69-58(38-47)54-12-4-8-34-66-54/h3-40H,1-2H3
InChIKeyFKMGNVRDSKHFAO-UHFFFAOYSA-N
MW957.11 g/mol
LogP14.69
Rot. Bonds12

About 5,8-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-bis(4-methoxyphenyl)quinoxaline

5,8-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-bis(4-methoxyphenyl)quinoxaline (PubChem CID 170556563) has the molecular formula C64H44N8O2 and a molecular weight of 957.11 g/mol. Its IUPAC name is 5,8-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-bis(4-methoxyphenyl)quinoxaline.

Molecular Properties

Compound Name5,8-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-bis(4-methoxyphenyl)quinoxaline
PubChem CID170556563
Molecular FormulaC64H44N8O2
Molecular Weight957.11 g/mol
Exact Mass956.36
IUPAC Name5,8-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-bis(4-methoxyphenyl)quinoxaline
SMILESCOc1ccc(-c2nc3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)ccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C64H44N8O2/c1-73-49-27-23-45(24-28-49)61-62(46-25-29-50(74-2)30-26-46)72-64-52(44-21-17-42(18-22-44)48-39-59(55-13-5-9-35-67-55)70-60(40-48)56-14-6-10-36-68-56)32-31-51(63(64)71-61)43-19-15-41(16-20-43)47-37-57(53-11-3-7-33-65-53)69-58(38-47)54-12-4-8-34-66-54/h3-40H,1-2H3
InChIKeyFKMGNVRDSKHFAO-UHFFFAOYSA-N
XLogP14.69
TPSA121.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.11
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5,8-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-bis(4-methoxyphenyl)quinoxaline?
The IUPAC name of 5,8-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-bis(4-methoxyphenyl)quinoxaline (CID 170556563) is 5,8-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-bis(4-methoxyphenyl)quinoxaline.
What is the SMILES notation for 5,8-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-bis(4-methoxyphenyl)quinoxaline?
The canonical SMILES for 5,8-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-bis(4-methoxyphenyl)quinoxaline is COc1ccc(-c2nc3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)ccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c3nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5,8-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-bis(4-methoxyphenyl)quinoxaline?
The InChIKey is FKMGNVRDSKHFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N8O2/c1-73-49-27-23-45(24-28-49)61-62(46-25-29-50(74-2)30-26-46)72-64-52(44-21-17-42(18-22-44)48-39-59(55-13-5-9-35-67-55)70-60(40-48)56-14-6-10-36-68-56)32-31-51(63(64)71-61)43-19-15-41(16-20-43)47-37-57(53-11-3-7-33-65-53)69-58(38-47)54-12-4-8-34-66-54/h3-40H,1-2H3.
What are the key properties of 5,8-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-bis(4-methoxyphenyl)quinoxaline?
5,8-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-bis(4-methoxyphenyl)quinoxaline has a molecular weight of 957.11 g/mol, XLogP of 14.69, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-bis(4-methoxyphenyl)quinoxaline is sourced from PubChem (CID 170556563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).