3,4-dibromo-9-(3,4-dibromoacenaphthyleno[1,2-b]quinoxalin-9-yl)acenaphthyleno[1,2-b]quinoxaline

C36H14Br4N4 — CID 59167602

IUPAC3,4-dibromo-9-(3,4-dibromoacenaphthyleno[1,2-b]quinoxalin-9-yl)acenaphthyleno[1,2-b]quinoxaline
SMILESBrc1ccc2c3c(ccc(Br)c13)-c1nc3cc(-c4ccc5nc6c(nc5c4)-c4ccc(Br)c5c(Br)ccc-6c45)ccc3nc1-2
InChIInChI=1S/C36H14Br4N4/c37-21-7-3-17-29-19(5-9-23(39)31(21)29)35-33(17)41-25-11-1-15(13-27(25)43-35)16-2-12-26-28(14-16)44-36-20-6-10-24(40)32-22(38)8-4-18(30(20)32)34(36)42-26/h1-14H
InChIKeyYABNFOPQOIRZHS-UHFFFAOYSA-N
MW822.15 g/mol
LogP11.89
Rot. Bonds1

About 3,4-dibromo-9-(3,4-dibromoacenaphthyleno[1,2-b]quinoxalin-9-yl)acenaphthyleno[1,2-b]quinoxaline

3,4-dibromo-9-(3,4-dibromoacenaphthyleno[1,2-b]quinoxalin-9-yl)acenaphthyleno[1,2-b]quinoxaline (PubChem CID 59167602) has the molecular formula C36H14Br4N4 and a molecular weight of 822.15 g/mol. Its IUPAC name is 3,4-dibromo-9-(3,4-dibromoacenaphthyleno[1,2-b]quinoxalin-9-yl)acenaphthyleno[1,2-b]quinoxaline.

Molecular Properties

Compound Name3,4-dibromo-9-(3,4-dibromoacenaphthyleno[1,2-b]quinoxalin-9-yl)acenaphthyleno[1,2-b]quinoxaline
PubChem CID59167602
Molecular FormulaC36H14Br4N4
Molecular Weight822.15 g/mol
Exact Mass817.80
IUPAC Name3,4-dibromo-9-(3,4-dibromoacenaphthyleno[1,2-b]quinoxalin-9-yl)acenaphthyleno[1,2-b]quinoxaline
SMILESBrc1ccc2c3c(ccc(Br)c13)-c1nc3cc(-c4ccc5nc6c(nc5c4)-c4ccc(Br)c5c(Br)ccc-6c45)ccc3nc1-2
InChIInChI=1S/C36H14Br4N4/c37-21-7-3-17-29-19(5-9-23(39)31(21)29)35-33(17)41-25-11-1-15(13-27(25)43-35)16-2-12-26-28(14-16)44-36-20-6-10-24(40)32-22(38)8-4-18(30(20)32)34(36)42-26/h1-14H
InChIKeyYABNFOPQOIRZHS-UHFFFAOYSA-N
XLogP11.89
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.15
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Bromo-acenaphtho(1,2-B)quinoxaline
CID 787246
Acenaphtho[1,2-b]benzo[g]quinoxaline
CID 1981933
6,6'-Biquinoxaline, 2,2',3,3'-tetrakis(4-bromophenyl)-
CID 3106569
4-Bromo-9-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxaline
CID 330296
6-{[2,3-Bis(4-bromophenyl)quinoxalin-6-yl]methyl}-2,3-bis(4-bromophenyl)quinoxaline
CID 3106566
9-(3,4-Difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-difluoroacenaphthyleno[1,2-b]quinoxaline
CID 59167611
CID 59167621
CID 59167621
3-Fluoro-9-[3-fluoro-10-methyl-4-(trifluoromethyl)acenaphthyleno[2,1-b]quinoxalin-9-yl]-10-methyl-4-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxaline
CID 59167634
9-[3,4-Bis(trifluoromethyl)acenaphthyleno[1,2-b]quinoxalin-9-yl]-3,4-bis(trifluoromethyl)acenaphthyleno[1,2-b]quinoxaline
CID 59167636
9-(3,4-Difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-dimethylacenaphthyleno[1,2-b]quinoxaline
CID 143424222
7,10-Difluoro-3,14,21,28-tetrazanonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene
CID 161423702
9-[(1E,12E,14E)-16-methylidene-15,17-bis(trifluoromethyl)-3,10-diazatetracyclo[10.7.1.02,11.04,9]icosa-1(19),2,4(9),5,7,10,12,14,17-nonaen-6-yl]-3,4-bis(trifluoromethyl)acenaphthyleno[1,2-b]quinoxaline
CID 173561531

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-9-(3,4-dibromoacenaphthyleno[1,2-b]quinoxalin-9-yl)acenaphthyleno[1,2-b]quinoxaline?
The IUPAC name of 3,4-dibromo-9-(3,4-dibromoacenaphthyleno[1,2-b]quinoxalin-9-yl)acenaphthyleno[1,2-b]quinoxaline (CID 59167602) is 3,4-dibromo-9-(3,4-dibromoacenaphthyleno[1,2-b]quinoxalin-9-yl)acenaphthyleno[1,2-b]quinoxaline.
What is the SMILES notation for 3,4-dibromo-9-(3,4-dibromoacenaphthyleno[1,2-b]quinoxalin-9-yl)acenaphthyleno[1,2-b]quinoxaline?
The canonical SMILES for 3,4-dibromo-9-(3,4-dibromoacenaphthyleno[1,2-b]quinoxalin-9-yl)acenaphthyleno[1,2-b]quinoxaline is Brc1ccc2c3c(ccc(Br)c13)-c1nc3cc(-c4ccc5nc6c(nc5c4)-c4ccc(Br)c5c(Br)ccc-6c45)ccc3nc1-2.
What is the InChIKey of 3,4-dibromo-9-(3,4-dibromoacenaphthyleno[1,2-b]quinoxalin-9-yl)acenaphthyleno[1,2-b]quinoxaline?
The InChIKey is YABNFOPQOIRZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H14Br4N4/c37-21-7-3-17-29-19(5-9-23(39)31(21)29)35-33(17)41-25-11-1-15(13-27(25)43-35)16-2-12-26-28(14-16)44-36-20-6-10-24(40)32-22(38)8-4-18(30(20)32)34(36)42-26/h1-14H.
What are the key properties of 3,4-dibromo-9-(3,4-dibromoacenaphthyleno[1,2-b]quinoxalin-9-yl)acenaphthyleno[1,2-b]quinoxaline?
3,4-dibromo-9-(3,4-dibromoacenaphthyleno[1,2-b]quinoxalin-9-yl)acenaphthyleno[1,2-b]quinoxaline has a molecular weight of 822.15 g/mol, XLogP of 11.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-9-(3,4-dibromoacenaphthyleno[1,2-b]quinoxalin-9-yl)acenaphthyleno[1,2-b]quinoxaline is sourced from PubChem (CID 59167602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).