5,8-dibromo-2,3-bis(4-hexoxyphenyl)quinoxaline

C32H36Br2N2O2 — CID 59718125

IUPAC5,8-dibromo-2,3-bis(4-hexoxyphenyl)quinoxaline
SMILESCCCCCCOc1ccc(-c2nc3c(Br)ccc(Br)c3nc2-c2ccc(OCCCCCC)cc2)cc1
InChIInChI=1S/C32H36Br2N2O2/c1-3-5-7-9-21-37-25-15-11-23(12-16-25)29-30(36-32-28(34)20-19-27(33)31(32)35-29)24-13-17-26(18-14-24)38-22-10-8-6-4-2/h11-20H,3-10,21-22H2,1-2H3
InChIKeyVJWZDGVRBYMKCZ-UHFFFAOYSA-N
MW640.46 g/mol
LogP10.41
Rot. Bonds14

About 5,8-dibromo-2,3-bis(4-hexoxyphenyl)quinoxaline

5,8-dibromo-2,3-bis(4-hexoxyphenyl)quinoxaline (PubChem CID 59718125) has the molecular formula C32H36Br2N2O2 and a molecular weight of 640.46 g/mol. Its IUPAC name is 5,8-dibromo-2,3-bis(4-hexoxyphenyl)quinoxaline.

Molecular Properties

Compound Name5,8-dibromo-2,3-bis(4-hexoxyphenyl)quinoxaline
PubChem CID59718125
Molecular FormulaC32H36Br2N2O2
Molecular Weight640.46 g/mol
Exact Mass638.11
IUPAC Name5,8-dibromo-2,3-bis(4-hexoxyphenyl)quinoxaline
SMILESCCCCCCOc1ccc(-c2nc3c(Br)ccc(Br)c3nc2-c2ccc(OCCCCCC)cc2)cc1
InChIInChI=1S/C32H36Br2N2O2/c1-3-5-7-9-21-37-25-15-11-23(12-16-25)29-30(36-32-28(34)20-19-27(33)31(32)35-29)24-13-17-26(18-14-24)38-22-10-8-6-4-2/h11-20H,3-10,21-22H2,1-2H3
InChIKeyVJWZDGVRBYMKCZ-UHFFFAOYSA-N
XLogP10.41
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.46
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,8-dibromo-2-(4-butoxyphenyl)-3-(4-butylphenyl)quinoxaline
CID 71294579
5,6-dibromo-2,3-bis(4-octoxyphenyl)quinoxaline
CID 174756097
4,7-dibromo-2-(4-hexoxyphenyl)-1-methylbenzimidazole
CID 102108778
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
4,9-dibromo-6,7-bis[4-(4-butoxyphenyl)phenyl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 102457718
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-bis(4-hexoxyphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 162196378
5,8-bis(5-bromo-4-hexadecylthiophen-2-yl)-2,3-bis(4-octoxyphenyl)quinoxaline
CID 102130923
1,4-dipentoxybenzene
CID 18314717
1-(5-bromopentoxy)-4-(4-hexoxyphenyl)benzene
CID 102394345

Frequently Asked Questions

What is the IUPAC name of 5,8-dibromo-2,3-bis(4-hexoxyphenyl)quinoxaline?
The IUPAC name of 5,8-dibromo-2,3-bis(4-hexoxyphenyl)quinoxaline (CID 59718125) is 5,8-dibromo-2,3-bis(4-hexoxyphenyl)quinoxaline.
What is the SMILES notation for 5,8-dibromo-2,3-bis(4-hexoxyphenyl)quinoxaline?
The canonical SMILES for 5,8-dibromo-2,3-bis(4-hexoxyphenyl)quinoxaline is CCCCCCOc1ccc(-c2nc3c(Br)ccc(Br)c3nc2-c2ccc(OCCCCCC)cc2)cc1.
What is the InChIKey of 5,8-dibromo-2,3-bis(4-hexoxyphenyl)quinoxaline?
The InChIKey is VJWZDGVRBYMKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36Br2N2O2/c1-3-5-7-9-21-37-25-15-11-23(12-16-25)29-30(36-32-28(34)20-19-27(33)31(32)35-29)24-13-17-26(18-14-24)38-22-10-8-6-4-2/h11-20H,3-10,21-22H2,1-2H3.
What are the key properties of 5,8-dibromo-2,3-bis(4-hexoxyphenyl)quinoxaline?
5,8-dibromo-2,3-bis(4-hexoxyphenyl)quinoxaline has a molecular weight of 640.46 g/mol, XLogP of 10.41, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibromo-2,3-bis(4-hexoxyphenyl)quinoxaline is sourced from PubChem (CID 59718125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).