5,8-dibromo-2-phenyl-3-(9-propyl-9H-fluoren-2-yl)quinoxaline

C30H22Br2N2 — CID 89469335

IUPAC5,8-dibromo-2-phenyl-3-(9-propyl-9H-fluoren-2-yl)quinoxaline
SMILESCCCC1c2ccccc2-c2ccc(-c3nc4c(Br)ccc(Br)c4nc3-c3ccccc3)cc21
InChIInChI=1S/C30H22Br2N2/c1-2-8-20-21-11-6-7-12-22(21)23-14-13-19(17-24(20)23)28-27(18-9-4-3-5-10-18)33-29-25(31)15-16-26(32)30(29)34-28/h3-7,9-17,20H,2,8H2,1H3
InChIKeyRZLAJUBVPMZJFM-UHFFFAOYSA-N
MW570.33 g/mol
LogP9.40
Rot. Bonds4

About 5,8-dibromo-2-phenyl-3-(9-propyl-9H-fluoren-2-yl)quinoxaline

5,8-dibromo-2-phenyl-3-(9-propyl-9H-fluoren-2-yl)quinoxaline (PubChem CID 89469335) has the molecular formula C30H22Br2N2 and a molecular weight of 570.33 g/mol. Its IUPAC name is 5,8-dibromo-2-phenyl-3-(9-propyl-9H-fluoren-2-yl)quinoxaline.

Molecular Properties

Compound Name5,8-dibromo-2-phenyl-3-(9-propyl-9H-fluoren-2-yl)quinoxaline
PubChem CID89469335
Molecular FormulaC30H22Br2N2
Molecular Weight570.33 g/mol
Exact Mass568.01
IUPAC Name5,8-dibromo-2-phenyl-3-(9-propyl-9H-fluoren-2-yl)quinoxaline
SMILESCCCC1c2ccccc2-c2ccc(-c3nc4c(Br)ccc(Br)c4nc3-c3ccccc3)cc21
InChIInChI=1S/C30H22Br2N2/c1-2-8-20-21-11-6-7-12-22(21)23-14-13-19(17-24(20)23)28-27(18-9-4-3-5-10-18)33-29-25(31)15-16-26(32)30(29)34-28/h3-7,9-17,20H,2,8H2,1H3
InChIKeyRZLAJUBVPMZJFM-UHFFFAOYSA-N
XLogP9.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.33
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dibromo-2-phenyl-3-(9-propyl-9H-fluoren-2-yl)quinoxaline?
The IUPAC name of 5,8-dibromo-2-phenyl-3-(9-propyl-9H-fluoren-2-yl)quinoxaline (CID 89469335) is 5,8-dibromo-2-phenyl-3-(9-propyl-9H-fluoren-2-yl)quinoxaline.
What is the SMILES notation for 5,8-dibromo-2-phenyl-3-(9-propyl-9H-fluoren-2-yl)quinoxaline?
The canonical SMILES for 5,8-dibromo-2-phenyl-3-(9-propyl-9H-fluoren-2-yl)quinoxaline is CCCC1c2ccccc2-c2ccc(-c3nc4c(Br)ccc(Br)c4nc3-c3ccccc3)cc21.
What is the InChIKey of 5,8-dibromo-2-phenyl-3-(9-propyl-9H-fluoren-2-yl)quinoxaline?
The InChIKey is RZLAJUBVPMZJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22Br2N2/c1-2-8-20-21-11-6-7-12-22(21)23-14-13-19(17-24(20)23)28-27(18-9-4-3-5-10-18)33-29-25(31)15-16-26(32)30(29)34-28/h3-7,9-17,20H,2,8H2,1H3.
What are the key properties of 5,8-dibromo-2-phenyl-3-(9-propyl-9H-fluoren-2-yl)quinoxaline?
5,8-dibromo-2-phenyl-3-(9-propyl-9H-fluoren-2-yl)quinoxaline has a molecular weight of 570.33 g/mol, XLogP of 9.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibromo-2-phenyl-3-(9-propyl-9H-fluoren-2-yl)quinoxaline is sourced from PubChem (CID 89469335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).