5,8-bis(6-methoxynaphthalen-2-yl)-2,3-bis(1H-pyrrol-2-yl)quinoxaline

C38H28N4O2 — CID 86080238

IUPAC5,8-bis(6-methoxynaphthalen-2-yl)-2,3-bis(1H-pyrrol-2-yl)quinoxaline
SMILESCOc1ccc2cc(-c3ccc(-c4ccc5cc(OC)ccc5c4)c4nc(-c5ccc[nH]5)c(-c5ccc[nH]5)nc34)ccc2c1
InChIInChI=1S/C38H28N4O2/c1-43-29-13-11-23-19-27(9-7-25(23)21-29)31-15-16-32(28-10-8-26-22-30(44-2)14-12-24(26)20-28)36-35(31)41-37(33-5-3-17-39-33)38(42-36)34-6-4-18-40-34/h3-22,39-40H,1-2H3
InChIKeyKWQYVEYPNOAYIN-UHFFFAOYSA-N
MW572.67 g/mol
LogP9.28
Rot. Bonds6

About 5,8-bis(6-methoxynaphthalen-2-yl)-2,3-bis(1H-pyrrol-2-yl)quinoxaline

5,8-bis(6-methoxynaphthalen-2-yl)-2,3-bis(1H-pyrrol-2-yl)quinoxaline (PubChem CID 86080238) has the molecular formula C38H28N4O2 and a molecular weight of 572.67 g/mol. Its IUPAC name is 5,8-bis(6-methoxynaphthalen-2-yl)-2,3-bis(1H-pyrrol-2-yl)quinoxaline.

Molecular Properties

Compound Name5,8-bis(6-methoxynaphthalen-2-yl)-2,3-bis(1H-pyrrol-2-yl)quinoxaline
PubChem CID86080238
Molecular FormulaC38H28N4O2
Molecular Weight572.67 g/mol
Exact Mass572.22
IUPAC Name5,8-bis(6-methoxynaphthalen-2-yl)-2,3-bis(1H-pyrrol-2-yl)quinoxaline
SMILESCOc1ccc2cc(-c3ccc(-c4ccc5cc(OC)ccc5c4)c4nc(-c5ccc[nH]5)c(-c5ccc[nH]5)nc34)ccc2c1
InChIInChI=1S/C38H28N4O2/c1-43-29-13-11-23-19-27(9-7-25(23)21-29)31-15-16-32(28-10-8-26-22-30(44-2)14-12-24(26)20-28)36-35(31)41-37(33-5-3-17-39-33)38(42-36)34-6-4-18-40-34/h3-22,39-40H,1-2H3
InChIKeyKWQYVEYPNOAYIN-UHFFFAOYSA-N
XLogP9.28
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.67
LogP ≤ 59.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8-bis(6-methoxynaphthalen-2-yl)-2,3-bis(1H-pyrrol-2-yl)quinoxaline?
The IUPAC name of 5,8-bis(6-methoxynaphthalen-2-yl)-2,3-bis(1H-pyrrol-2-yl)quinoxaline (CID 86080238) is 5,8-bis(6-methoxynaphthalen-2-yl)-2,3-bis(1H-pyrrol-2-yl)quinoxaline.
What is the SMILES notation for 5,8-bis(6-methoxynaphthalen-2-yl)-2,3-bis(1H-pyrrol-2-yl)quinoxaline?
The canonical SMILES for 5,8-bis(6-methoxynaphthalen-2-yl)-2,3-bis(1H-pyrrol-2-yl)quinoxaline is COc1ccc2cc(-c3ccc(-c4ccc5cc(OC)ccc5c4)c4nc(-c5ccc[nH]5)c(-c5ccc[nH]5)nc34)ccc2c1.
What is the InChIKey of 5,8-bis(6-methoxynaphthalen-2-yl)-2,3-bis(1H-pyrrol-2-yl)quinoxaline?
The InChIKey is KWQYVEYPNOAYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N4O2/c1-43-29-13-11-23-19-27(9-7-25(23)21-29)31-15-16-32(28-10-8-26-22-30(44-2)14-12-24(26)20-28)36-35(31)41-37(33-5-3-17-39-33)38(42-36)34-6-4-18-40-34/h3-22,39-40H,1-2H3.
What are the key properties of 5,8-bis(6-methoxynaphthalen-2-yl)-2,3-bis(1H-pyrrol-2-yl)quinoxaline?
5,8-bis(6-methoxynaphthalen-2-yl)-2,3-bis(1H-pyrrol-2-yl)quinoxaline has a molecular weight of 572.67 g/mol, XLogP of 9.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis(6-methoxynaphthalen-2-yl)-2,3-bis(1H-pyrrol-2-yl)quinoxaline is sourced from PubChem (CID 86080238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).