ethane;1,6,7-trimethylindazole;1,6,7-trimethylindole;1,7,8-trimethylisoquinoline;4,5,6-trimethylisoquinoline;1,6,7-trimethylpyrazolo[4,3-b]pyridine;1,6,7-trimethylpyrrolo[3,2-b]pyridine;1,6,7-trimethylpyrrolo[3,2-c]pyridine

C88H128N12 — CID 157137879

IUPACethane;1,6,7-trimethylindazole;1,6,7-trimethylindole;1,7,8-trimethylisoquinoline;4,5,6-trimethylisoquinoline;1,6,7-trimethylpyrazolo[4,3-b]pyridine;1,6,7-trimethylpyrrolo[3,2-b]pyridine;1,6,7-trimethylpyrrolo[3,2-c]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1ccc2ccn(C)c2c1C.Cc1ccc2ccnc(C)c2c1C.Cc1ccc2cncc(C)c2c1C.Cc1ccc2cnn(C)c2c1C.Cc1cnc2ccn(C)c2c1C.Cc1cnc2cnn(C)c2c1C.Cc1ncc2ccn(C)c2c1C
InChIInChI=1S/2C12H13N.C11H13N.3C10H12N2.C9H11N3.7C2H6/c1-8-4-5-11-7-13-6-9(2)12(11)10(8)3;1-8-4-5-11-6-7-13-10(3)12(11)9(8)2;1-8-4-5-10-6-7-12(3)11(10)9(8)2;1-7-8(2)11-6-9-4-5-12(3)10(7)9;1-7-6-11-9-4-5-12(3)10(9)8(7)2;1-7-4-5-9-6-11-12(3)10(9)8(7)2;1-6-4-10-8-5-11-12(3)9(8)7(6)2;7*1-2/h2*4-7H,1-3H3;4-7H,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3;7*1-2H3
InChIKeyAJVNRCNXQJPKDC-UHFFFAOYSA-N
MW1354.08 g/mol
LogP24.45
Rot. Bonds

About ethane;1,6,7-trimethylindazole;1,6,7-trimethylindole;1,7,8-trimethylisoquinoline;4,5,6-trimethylisoquinoline;1,6,7-trimethylpyrazolo[4,3-b]pyridine;1,6,7-trimethylpyrrolo[3,2-b]pyridine;1,6,7-trimethylpyrrolo[3,2-c]pyridine

ethane;1,6,7-trimethylindazole;1,6,7-trimethylindole;1,7,8-trimethylisoquinoline;4,5,6-trimethylisoquinoline;1,6,7-trimethylpyrazolo[4,3-b]pyridine;1,6,7-trimethylpyrrolo[3,2-b]pyridine;1,6,7-trimethylpyrrolo[3,2-c]pyridine (PubChem CID 157137879) has the molecular formula C88H128N12 and a molecular weight of 1354.08 g/mol. Its IUPAC name is ethane;1,6,7-trimethylindazole;1,6,7-trimethylindole;1,7,8-trimethylisoquinoline;4,5,6-trimethylisoquinoline;1,6,7-trimethylpyrazolo[4,3-b]pyridine;1,6,7-trimethylpyrrolo[3,2-b]pyridine;1,6,7-trimethylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Nameethane;1,6,7-trimethylindazole;1,6,7-trimethylindole;1,7,8-trimethylisoquinoline;4,5,6-trimethylisoquinoline;1,6,7-trimethylpyrazolo[4,3-b]pyridine;1,6,7-trimethylpyrrolo[3,2-b]pyridine;1,6,7-trimethylpyrrolo[3,2-c]pyridine
PubChem CID157137879
Molecular FormulaC88H128N12
Molecular Weight1354.08 g/mol
Exact Mass1353.04
IUPAC Nameethane;1,6,7-trimethylindazole;1,6,7-trimethylindole;1,7,8-trimethylisoquinoline;4,5,6-trimethylisoquinoline;1,6,7-trimethylpyrazolo[4,3-b]pyridine;1,6,7-trimethylpyrrolo[3,2-b]pyridine;1,6,7-trimethylpyrrolo[3,2-c]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1ccc2ccn(C)c2c1C.Cc1ccc2ccnc(C)c2c1C.Cc1ccc2cncc(C)c2c1C.Cc1ccc2cnn(C)c2c1C.Cc1cnc2ccn(C)c2c1C.Cc1cnc2cnn(C)c2c1C.Cc1ncc2ccn(C)c2c1C
InChIInChI=1S/2C12H13N.C11H13N.3C10H12N2.C9H11N3.7C2H6/c1-8-4-5-11-7-13-6-9(2)12(11)10(8)3;1-8-4-5-11-6-7-13-10(3)12(11)9(8)2;1-8-4-5-10-6-7-12(3)11(10)9(8)2;1-7-8(2)11-6-9-4-5-12(3)10(7)9;1-7-6-11-9-4-5-12(3)10(9)8(7)2;1-7-4-5-9-6-11-12(3)10(9)8(7)2;1-6-4-10-8-5-11-12(3)9(8)7(6)2;7*1-2/h2*4-7H,1-3H3;4-7H,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3;7*1-2H3
InChIKeyAJVNRCNXQJPKDC-UHFFFAOYSA-N
XLogP24.45
TPSA114.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001354.08
LogP ≤ 524.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze ethane;1,6,7-trimethylindazole;1,6,7-trimethylindole;1,7,8-trimethylisoquinoline;4,5,6-trimethylisoquinoline;1,6,7-trimethylpyrazolo[4,3-b]pyridine;1,6,7-trimethylpyrrolo[3,2-b]pyridine;1,6,7-trimethylpyrrolo[3,2-c]pyridine with MolForge

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Related Compounds

9-[[1-[[4-[4-[[4-(Carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole
CID 155544405
Bis(1,10-phenanthroline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 57339425
Ru(II)(phen)2(phen-cyclen-2H+)
CID 16683884
Ru(II)(phen)2(phen-cyclam-Ni(II)
CID 16683885
Ru(II)(phen)2(phen-cyclam-Cu(II)
CID 16683886
Ru(II)(phen)2(phen-cyclam-Fe(III))
CID 16683887
Ru(II)(phen)2(phen-cyclam-Co(III)-Cl2)
CID 16683888
Ru(II)(phen)2(phen-cyclam-2H+)
CID 16683894
Bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 57261388
(Mu-11,11'-Bidipyrido[3,2-A:2',3'-C]phenazine-1kappa~2~n~4~,N~5~:2kappa~2~n~4'~,N~5'~)[tetrakis(1,10-Phenanthroline-Kappa~2~n~1~,N~10~)]diruthenium
CID 73010381
Tetrakis(2,2'-Bipyridine-Kappa~2~n~1~,N~1'~)(Mu-Tetrapyrido[3,2-A:2',3'-C:3'',2''-H:2''',3'''-J]phenazine-1kappa~2~n~4~,N~5~:2kappa~2~n~13~,N~14~)diruthenium(4+) L Enantiomer
CID 71737795
Tris(4,7-diphenyl-1,10-phenanthroline)ruthenium(2+)
CID 11980300

Frequently Asked Questions

What is the IUPAC name of ethane;1,6,7-trimethylindazole;1,6,7-trimethylindole;1,7,8-trimethylisoquinoline;4,5,6-trimethylisoquinoline;1,6,7-trimethylpyrazolo[4,3-b]pyridine;1,6,7-trimethylpyrrolo[3,2-b]pyridine;1,6,7-trimethylpyrrolo[3,2-c]pyridine?
The IUPAC name of ethane;1,6,7-trimethylindazole;1,6,7-trimethylindole;1,7,8-trimethylisoquinoline;4,5,6-trimethylisoquinoline;1,6,7-trimethylpyrazolo[4,3-b]pyridine;1,6,7-trimethylpyrrolo[3,2-b]pyridine;1,6,7-trimethylpyrrolo[3,2-c]pyridine (CID 157137879) is ethane;1,6,7-trimethylindazole;1,6,7-trimethylindole;1,7,8-trimethylisoquinoline;4,5,6-trimethylisoquinoline;1,6,7-trimethylpyrazolo[4,3-b]pyridine;1,6,7-trimethylpyrrolo[3,2-b]pyridine;1,6,7-trimethylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for ethane;1,6,7-trimethylindazole;1,6,7-trimethylindole;1,7,8-trimethylisoquinoline;4,5,6-trimethylisoquinoline;1,6,7-trimethylpyrazolo[4,3-b]pyridine;1,6,7-trimethylpyrrolo[3,2-b]pyridine;1,6,7-trimethylpyrrolo[3,2-c]pyridine?
The canonical SMILES for ethane;1,6,7-trimethylindazole;1,6,7-trimethylindole;1,7,8-trimethylisoquinoline;4,5,6-trimethylisoquinoline;1,6,7-trimethylpyrazolo[4,3-b]pyridine;1,6,7-trimethylpyrrolo[3,2-b]pyridine;1,6,7-trimethylpyrrolo[3,2-c]pyridine is CC.CC.CC.CC.CC.CC.CC.Cc1ccc2ccn(C)c2c1C.Cc1ccc2ccnc(C)c2c1C.Cc1ccc2cncc(C)c2c1C.Cc1ccc2cnn(C)c2c1C.Cc1cnc2ccn(C)c2c1C.Cc1cnc2cnn(C)c2c1C.Cc1ncc2ccn(C)c2c1C.
What is the InChIKey of ethane;1,6,7-trimethylindazole;1,6,7-trimethylindole;1,7,8-trimethylisoquinoline;4,5,6-trimethylisoquinoline;1,6,7-trimethylpyrazolo[4,3-b]pyridine;1,6,7-trimethylpyrrolo[3,2-b]pyridine;1,6,7-trimethylpyrrolo[3,2-c]pyridine?
The InChIKey is AJVNRCNXQJPKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13N.C11H13N.3C10H12N2.C9H11N3.7C2H6/c1-8-4-5-11-7-13-6-9(2)12(11)10(8)3;1-8-4-5-11-6-7-13-10(3)12(11)9(8)2;1-8-4-5-10-6-7-12(3)11(10)9(8)2;1-7-8(2)11-6-9-4-5-12(3)10(7)9;1-7-6-11-9-4-5-12(3)10(9)8(7)2;1-7-4-5-9-6-11-12(3)10(9)8(7)2;1-6-4-10-8-5-11-12(3)9(8)7(6)2;7*1-2/h2*4-7H,1-3H3;4-7H,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3;7*1-2H3.
What are the key properties of ethane;1,6,7-trimethylindazole;1,6,7-trimethylindole;1,7,8-trimethylisoquinoline;4,5,6-trimethylisoquinoline;1,6,7-trimethylpyrazolo[4,3-b]pyridine;1,6,7-trimethylpyrrolo[3,2-b]pyridine;1,6,7-trimethylpyrrolo[3,2-c]pyridine?
ethane;1,6,7-trimethylindazole;1,6,7-trimethylindole;1,7,8-trimethylisoquinoline;4,5,6-trimethylisoquinoline;1,6,7-trimethylpyrazolo[4,3-b]pyridine;1,6,7-trimethylpyrrolo[3,2-b]pyridine;1,6,7-trimethylpyrrolo[3,2-c]pyridine has a molecular weight of 1354.08 g/mol, XLogP of 24.45, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,6,7-trimethylindazole;1,6,7-trimethylindole;1,7,8-trimethylisoquinoline;4,5,6-trimethylisoquinoline;1,6,7-trimethylpyrazolo[4,3-b]pyridine;1,6,7-trimethylpyrrolo[3,2-b]pyridine;1,6,7-trimethylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 157137879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).