bis(2,3,4,5,6,7,8-heptamethylquinoline);3,4,5,6,7,8-hexamethylcinnoline;2,3,4,5,6,7-hexamethyl-1,8-naphthyridine;1,2,3,4,5,6-hexamethylpyrrolo[2,3-b]pyridine;2,4,5,6,7,8-hexamethylquinazoline;2,3,5,6,7,8-hexamethylquinoxaline;1,2,3,4,5,6,7,8-octamethylnaphthalene

C119H156N12 — CID 161268994

IUPACbis(2,3,4,5,6,7,8-heptamethylquinoline);3,4,5,6,7,8-hexamethylcinnoline;2,3,4,5,6,7-hexamethyl-1,8-naphthyridine;1,2,3,4,5,6-hexamethylpyrrolo[2,3-b]pyridine;2,4,5,6,7,8-hexamethylquinazoline;2,3,5,6,7,8-hexamethylquinoxaline;1,2,3,4,5,6,7,8-octamethylnaphthalene
SMILESCc1c(C)c(C)c2c(C)c(C)c(C)c(C)c2c1C.Cc1nc(C)c2c(C)c(C)c(C)c(C)c2n1.Cc1nc2c(C)c(C)c(C)c(C)c2c(C)c1C.Cc1nc2c(C)c(C)c(C)c(C)c2c(C)c1C.Cc1nc2c(C)c(C)c(C)c(C)c2nc1C.Cc1nc2c(c(C)c1C)c(C)c(C)n2C.Cc1nc2nc(C)c(C)c(C)c2c(C)c1C.Cc1nnc2c(C)c(C)c(C)c(C)c2c1C
InChIInChI=1S/C18H24.2C16H21N.4C14H18N2.C13H18N2/c1-9-10(2)14(6)18-16(8)12(4)11(3)15(7)17(18)13(9)5;2*1-8-9(2)13(6)16-15(11(8)4)12(5)10(3)14(7)17-16;1-7-9(3)13-10(4)8(2)12(6)16-14(13)15-11(7)5;1-7-8(2)10(4)14-13(9(7)3)11(5)15-12(6)16-14;1-7-8(2)10(4)14-13(9(7)3)15-11(5)12(6)16-14;1-7-8(2)10(4)14-13(9(7)3)11(5)12(6)15-16-14;1-7-8(2)12-9(3)11(5)15(6)13(12)14-10(7)4/h1-8H3;2*1-7H3;4*1-6H3;1-6H3
InChIKeyVDOGICAYFNVWSX-UHFFFAOYSA-N
MW1754.64 g/mol
LogP31.13
Rot. Bonds

About bis(2,3,4,5,6,7,8-heptamethylquinoline);3,4,5,6,7,8-hexamethylcinnoline;2,3,4,5,6,7-hexamethyl-1,8-naphthyridine;1,2,3,4,5,6-hexamethylpyrrolo[2,3-b]pyridine;2,4,5,6,7,8-hexamethylquinazoline;2,3,5,6,7,8-hexamethylquinoxaline;1,2,3,4,5,6,7,8-octamethylnaphthalene

bis(2,3,4,5,6,7,8-heptamethylquinoline);3,4,5,6,7,8-hexamethylcinnoline;2,3,4,5,6,7-hexamethyl-1,8-naphthyridine;1,2,3,4,5,6-hexamethylpyrrolo[2,3-b]pyridine;2,4,5,6,7,8-hexamethylquinazoline;2,3,5,6,7,8-hexamethylquinoxaline;1,2,3,4,5,6,7,8-octamethylnaphthalene (PubChem CID 161268994) has the molecular formula C119H156N12 and a molecular weight of 1754.64 g/mol. Its IUPAC name is bis(2,3,4,5,6,7,8-heptamethylquinoline);3,4,5,6,7,8-hexamethylcinnoline;2,3,4,5,6,7-hexamethyl-1,8-naphthyridine;1,2,3,4,5,6-hexamethylpyrrolo[2,3-b]pyridine;2,4,5,6,7,8-hexamethylquinazoline;2,3,5,6,7,8-hexamethylquinoxaline;1,2,3,4,5,6,7,8-octamethylnaphthalene.

Molecular Properties

Compound Namebis(2,3,4,5,6,7,8-heptamethylquinoline);3,4,5,6,7,8-hexamethylcinnoline;2,3,4,5,6,7-hexamethyl-1,8-naphthyridine;1,2,3,4,5,6-hexamethylpyrrolo[2,3-b]pyridine;2,4,5,6,7,8-hexamethylquinazoline;2,3,5,6,7,8-hexamethylquinoxaline;1,2,3,4,5,6,7,8-octamethylnaphthalene
PubChem CID161268994
Molecular FormulaC119H156N12
Molecular Weight1754.64 g/mol
Exact Mass1753.26
IUPAC Namebis(2,3,4,5,6,7,8-heptamethylquinoline);3,4,5,6,7,8-hexamethylcinnoline;2,3,4,5,6,7-hexamethyl-1,8-naphthyridine;1,2,3,4,5,6-hexamethylpyrrolo[2,3-b]pyridine;2,4,5,6,7,8-hexamethylquinazoline;2,3,5,6,7,8-hexamethylquinoxaline;1,2,3,4,5,6,7,8-octamethylnaphthalene
SMILESCc1c(C)c(C)c2c(C)c(C)c(C)c(C)c2c1C.Cc1nc(C)c2c(C)c(C)c(C)c(C)c2n1.Cc1nc2c(C)c(C)c(C)c(C)c2c(C)c1C.Cc1nc2c(C)c(C)c(C)c(C)c2c(C)c1C.Cc1nc2c(C)c(C)c(C)c(C)c2nc1C.Cc1nc2c(c(C)c1C)c(C)c(C)n2C.Cc1nc2nc(C)c(C)c(C)c2c(C)c1C.Cc1nnc2c(C)c(C)c(C)c(C)c2c1C
InChIInChI=1S/C18H24.2C16H21N.4C14H18N2.C13H18N2/c1-9-10(2)14(6)18-16(8)12(4)11(3)15(7)17(18)13(9)5;2*1-8-9(2)13(6)16-15(11(8)4)12(5)10(3)14(7)17-16;1-7-9(3)13-10(4)8(2)12(6)16-14(13)15-11(7)5;1-7-8(2)10(4)14-13(9(7)3)11(5)15-12(6)16-14;1-7-8(2)10(4)14-13(9(7)3)15-11(5)12(6)16-14;1-7-8(2)10(4)14-13(9(7)3)11(5)12(6)15-16-14;1-7-8(2)12-9(3)11(5)15(6)13(12)14-10(7)4/h1-8H3;2*1-7H3;4*1-6H3;1-6H3
InChIKeyVDOGICAYFNVWSX-UHFFFAOYSA-N
XLogP31.13
TPSA146.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001754.64
LogP ≤ 531.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze bis(2,3,4,5,6,7,8-heptamethylquinoline);3,4,5,6,7,8-hexamethylcinnoline;2,3,4,5,6,7-hexamethyl-1,8-naphthyridine;1,2,3,4,5,6-hexamethylpyrrolo[2,3-b]pyridine;2,4,5,6,7,8-hexamethylquinazoline;2,3,5,6,7,8-hexamethylquinoxaline;1,2,3,4,5,6,7,8-octamethylnaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2,3,4,5,6,7,8-heptamethylquinoline);3,4,5,6,7,8-hexamethylcinnoline;2,3,4,5,6,7-hexamethyl-1,8-naphthyridine;1,2,3,4,5,6-hexamethylpyrrolo[2,3-b]pyridine;2,4,5,6,7,8-hexamethylquinazoline;2,3,5,6,7,8-hexamethylquinoxaline;1,2,3,4,5,6,7,8-octamethylnaphthalene?
The IUPAC name of bis(2,3,4,5,6,7,8-heptamethylquinoline);3,4,5,6,7,8-hexamethylcinnoline;2,3,4,5,6,7-hexamethyl-1,8-naphthyridine;1,2,3,4,5,6-hexamethylpyrrolo[2,3-b]pyridine;2,4,5,6,7,8-hexamethylquinazoline;2,3,5,6,7,8-hexamethylquinoxaline;1,2,3,4,5,6,7,8-octamethylnaphthalene (CID 161268994) is bis(2,3,4,5,6,7,8-heptamethylquinoline);3,4,5,6,7,8-hexamethylcinnoline;2,3,4,5,6,7-hexamethyl-1,8-naphthyridine;1,2,3,4,5,6-hexamethylpyrrolo[2,3-b]pyridine;2,4,5,6,7,8-hexamethylquinazoline;2,3,5,6,7,8-hexamethylquinoxaline;1,2,3,4,5,6,7,8-octamethylnaphthalene.
What is the SMILES notation for bis(2,3,4,5,6,7,8-heptamethylquinoline);3,4,5,6,7,8-hexamethylcinnoline;2,3,4,5,6,7-hexamethyl-1,8-naphthyridine;1,2,3,4,5,6-hexamethylpyrrolo[2,3-b]pyridine;2,4,5,6,7,8-hexamethylquinazoline;2,3,5,6,7,8-hexamethylquinoxaline;1,2,3,4,5,6,7,8-octamethylnaphthalene?
The canonical SMILES for bis(2,3,4,5,6,7,8-heptamethylquinoline);3,4,5,6,7,8-hexamethylcinnoline;2,3,4,5,6,7-hexamethyl-1,8-naphthyridine;1,2,3,4,5,6-hexamethylpyrrolo[2,3-b]pyridine;2,4,5,6,7,8-hexamethylquinazoline;2,3,5,6,7,8-hexamethylquinoxaline;1,2,3,4,5,6,7,8-octamethylnaphthalene is Cc1c(C)c(C)c2c(C)c(C)c(C)c(C)c2c1C.Cc1nc(C)c2c(C)c(C)c(C)c(C)c2n1.Cc1nc2c(C)c(C)c(C)c(C)c2c(C)c1C.Cc1nc2c(C)c(C)c(C)c(C)c2c(C)c1C.Cc1nc2c(C)c(C)c(C)c(C)c2nc1C.Cc1nc2c(c(C)c1C)c(C)c(C)n2C.Cc1nc2nc(C)c(C)c(C)c2c(C)c1C.Cc1nnc2c(C)c(C)c(C)c(C)c2c1C.
What is the InChIKey of bis(2,3,4,5,6,7,8-heptamethylquinoline);3,4,5,6,7,8-hexamethylcinnoline;2,3,4,5,6,7-hexamethyl-1,8-naphthyridine;1,2,3,4,5,6-hexamethylpyrrolo[2,3-b]pyridine;2,4,5,6,7,8-hexamethylquinazoline;2,3,5,6,7,8-hexamethylquinoxaline;1,2,3,4,5,6,7,8-octamethylnaphthalene?
The InChIKey is VDOGICAYFNVWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24.2C16H21N.4C14H18N2.C13H18N2/c1-9-10(2)14(6)18-16(8)12(4)11(3)15(7)17(18)13(9)5;2*1-8-9(2)13(6)16-15(11(8)4)12(5)10(3)14(7)17-16;1-7-9(3)13-10(4)8(2)12(6)16-14(13)15-11(7)5;1-7-8(2)10(4)14-13(9(7)3)11(5)15-12(6)16-14;1-7-8(2)10(4)14-13(9(7)3)15-11(5)12(6)16-14;1-7-8(2)10(4)14-13(9(7)3)11(5)12(6)15-16-14;1-7-8(2)12-9(3)11(5)15(6)13(12)14-10(7)4/h1-8H3;2*1-7H3;4*1-6H3;1-6H3.
What are the key properties of bis(2,3,4,5,6,7,8-heptamethylquinoline);3,4,5,6,7,8-hexamethylcinnoline;2,3,4,5,6,7-hexamethyl-1,8-naphthyridine;1,2,3,4,5,6-hexamethylpyrrolo[2,3-b]pyridine;2,4,5,6,7,8-hexamethylquinazoline;2,3,5,6,7,8-hexamethylquinoxaline;1,2,3,4,5,6,7,8-octamethylnaphthalene?
bis(2,3,4,5,6,7,8-heptamethylquinoline);3,4,5,6,7,8-hexamethylcinnoline;2,3,4,5,6,7-hexamethyl-1,8-naphthyridine;1,2,3,4,5,6-hexamethylpyrrolo[2,3-b]pyridine;2,4,5,6,7,8-hexamethylquinazoline;2,3,5,6,7,8-hexamethylquinoxaline;1,2,3,4,5,6,7,8-octamethylnaphthalene has a molecular weight of 1754.64 g/mol, XLogP of 31.13, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4,5,6,7,8-heptamethylquinoline);3,4,5,6,7,8-hexamethylcinnoline;2,3,4,5,6,7-hexamethyl-1,8-naphthyridine;1,2,3,4,5,6-hexamethylpyrrolo[2,3-b]pyridine;2,4,5,6,7,8-hexamethylquinazoline;2,3,5,6,7,8-hexamethylquinoxaline;1,2,3,4,5,6,7,8-octamethylnaphthalene is sourced from PubChem (CID 161268994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).