9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline

C51H62N4 — CID 159278973

IUPAC9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline
SMILESCC.CC.CC.CC.CC.CC.Cc1cc2nc3c(nc2cc1C)-c1cccc2cccc-3c12.Cc1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12
InChIInChI=1S/C20H14N2.C19H12N2.6C2H6/c1-11-9-16-17(10-12(11)2)22-20-15-8-4-6-13-5-3-7-14(18(13)15)19(20)21-16;1-11-8-9-15-16(10-11)21-19-14-7-3-5-12-4-2-6-13(17(12)14)18(19)20-15;6*1-2/h3-10H,1-2H3;2-10H,1H3;6*1-2H3
InChIKeyKYRBEEZICOHZRH-UHFFFAOYSA-N
MW731.08 g/mol
LogP15.94
Rot. Bonds

About 9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline

9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline (PubChem CID 159278973) has the molecular formula C51H62N4 and a molecular weight of 731.08 g/mol. Its IUPAC name is 9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline.

Molecular Properties

Compound Name9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline
PubChem CID159278973
Molecular FormulaC51H62N4
Molecular Weight731.08 g/mol
Exact Mass730.50
IUPAC Name9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline
SMILESCC.CC.CC.CC.CC.CC.Cc1cc2nc3c(nc2cc1C)-c1cccc2cccc-3c12.Cc1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12
InChIInChI=1S/C20H14N2.C19H12N2.6C2H6/c1-11-9-16-17(10-12(11)2)22-20-15-8-4-6-13-5-3-7-14(18(13)15)19(20)21-16;1-11-8-9-15-16(10-11)21-19-14-7-3-5-12-4-2-6-13(17(12)14)18(19)20-15;6*1-2/h3-10H,1-2H3;2-10H,1H3;6*1-2H3
InChIKeyKYRBEEZICOHZRH-UHFFFAOYSA-N
XLogP15.94
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.08
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline with MolForge

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Related Compounds

3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene
CID 58122097
7,12,12-trimethyl-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),5,7,10,13,15,17(21),18-decaene
CID 164748474
7-methylindeno[1,2-b]quinoxalin-11-one
CID 2799070
6-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
CID 164749311
acenaphthyleno[1,2-b]quinoxaline-9,10-dicarbonitrile
CID 627610
4-acenaphthyleno[1,2-b]quinoxalin-9-yloxyaniline
CID 1320006
2-oxopropyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate
CID 1154611
6,7-dimethyl-2,3-bis(6-methyl-2-pyridinyl)quinoxaline
CID 15427002
ethane;6-methyl-2,3-bis(methylsulfanyl)quinoxaline
CID 145314950
7,10-dimethyl-8-(4-methylphenyl)fluoranthene
CID 12713914
10-[4-[6,7-dimethyl-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine;10-[4-[6-methyl-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine;10-[4-[3-(4-phenoxazin-10-ylphenyl)benzo[g]quinoxalin-2-yl]phenyl]phenoxazine
CID 159697733
8-methylphenazin-1-ol
CID 137287576

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline?
The IUPAC name of 9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline (CID 159278973) is 9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline.
What is the SMILES notation for 9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline?
The canonical SMILES for 9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline is CC.CC.CC.CC.CC.CC.Cc1cc2nc3c(nc2cc1C)-c1cccc2cccc-3c12.Cc1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12.
What is the InChIKey of 9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline?
The InChIKey is KYRBEEZICOHZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2.C19H12N2.6C2H6/c1-11-9-16-17(10-12(11)2)22-20-15-8-4-6-13-5-3-7-14(18(13)15)19(20)21-16;1-11-8-9-15-16(10-11)21-19-14-7-3-5-12-4-2-6-13(17(12)14)18(19)20-15;6*1-2/h3-10H,1-2H3;2-10H,1H3;6*1-2H3.
What are the key properties of 9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline?
9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline has a molecular weight of 731.08 g/mol, XLogP of 15.94, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline is sourced from PubChem (CID 159278973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).