3,7-dimethylisoquinoline;1,4-dimethylnaphthalene;2,6-dimethylquinoline;3,7-dimethylquinoline;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,5-dimethyl-3-phenylbenzene;2,6,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene

C118H121F2N3 — CID 162065006

IUPAC3,7-dimethylisoquinoline;1,4-dimethylnaphthalene;2,6-dimethylquinoline;3,7-dimethylquinoline;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,5-dimethyl-3-phenylbenzene;2,6,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene
SMILESCc1cc(F)c(C)c(-c2ccccc2)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c2ccccc12.Cc1ccc2c(c1)-c1cc(C)ccc1C2(C)C.Cc1ccc2c(c1)-c1ccc(C)cc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2cc(C)ncc2c1.Cc1ccc2nc(C)ccc2c1.Cc1cnc2cc(C)ccc2c1
InChIInChI=1S/3C17H18.C14H13F.C12H12.3C11H11N.C8H9F/c1-11-6-8-15-14(9-11)13-7-5-12(2)10-16(13)17(15,3)4;1-11-5-7-15-13(9-11)14-10-12(2)6-8-16(14)17(15,3)4;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-10-8-13(11(2)14(15)9-10)12-6-4-3-5-7-12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-8-3-4-10-5-9(2)7-12-11(10)6-8;1-8-3-4-10-6-9(2)12-7-11(10)5-8;1-6-3-4-7(2)8(9)5-6/h3*5-10H,1-4H3;3-9H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3-5H,1-2H3
InChIKeyZAIOXLYJLXDTDM-UHFFFAOYSA-N
MW1619.28 g/mol
LogP32.39
Rot. Bonds1

About 3,7-dimethylisoquinoline;1,4-dimethylnaphthalene;2,6-dimethylquinoline;3,7-dimethylquinoline;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,5-dimethyl-3-phenylbenzene;2,6,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene

3,7-dimethylisoquinoline;1,4-dimethylnaphthalene;2,6-dimethylquinoline;3,7-dimethylquinoline;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,5-dimethyl-3-phenylbenzene;2,6,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene (PubChem CID 162065006) has the molecular formula C118H121F2N3 and a molecular weight of 1619.28 g/mol. Its IUPAC name is 3,7-dimethylisoquinoline;1,4-dimethylnaphthalene;2,6-dimethylquinoline;3,7-dimethylquinoline;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,5-dimethyl-3-phenylbenzene;2,6,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene.

Molecular Properties

Compound Name3,7-dimethylisoquinoline;1,4-dimethylnaphthalene;2,6-dimethylquinoline;3,7-dimethylquinoline;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,5-dimethyl-3-phenylbenzene;2,6,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene
PubChem CID162065006
Molecular FormulaC118H121F2N3
Molecular Weight1619.28 g/mol
Exact Mass1617.95
IUPAC Name3,7-dimethylisoquinoline;1,4-dimethylnaphthalene;2,6-dimethylquinoline;3,7-dimethylquinoline;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,5-dimethyl-3-phenylbenzene;2,6,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene
SMILESCc1cc(F)c(C)c(-c2ccccc2)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c2ccccc12.Cc1ccc2c(c1)-c1cc(C)ccc1C2(C)C.Cc1ccc2c(c1)-c1ccc(C)cc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2cc(C)ncc2c1.Cc1ccc2nc(C)ccc2c1.Cc1cnc2cc(C)ccc2c1
InChIInChI=1S/3C17H18.C14H13F.C12H12.3C11H11N.C8H9F/c1-11-6-8-15-14(9-11)13-7-5-12(2)10-16(13)17(15,3)4;1-11-5-7-15-13(9-11)14-10-12(2)6-8-16(14)17(15,3)4;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-10-8-13(11(2)14(15)9-10)12-6-4-3-5-7-12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-8-3-4-10-5-9(2)7-12-11(10)6-8;1-8-3-4-10-6-9(2)12-7-11(10)5-8;1-6-3-4-7(2)8(9)5-6/h3*5-10H,1-4H3;3-9H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3-5H,1-2H3
InChIKeyZAIOXLYJLXDTDM-UHFFFAOYSA-N
XLogP32.39
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001619.28
LogP ≤ 532.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,7-dimethylisoquinoline;1,4-dimethylnaphthalene;2,6-dimethylquinoline;3,7-dimethylquinoline;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,5-dimethyl-3-phenylbenzene;2,6,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylisoquinoline;1,4-dimethylnaphthalene;2,6-dimethylquinoline;3,7-dimethylquinoline;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,5-dimethyl-3-phenylbenzene;2,6,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene?
The IUPAC name of 3,7-dimethylisoquinoline;1,4-dimethylnaphthalene;2,6-dimethylquinoline;3,7-dimethylquinoline;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,5-dimethyl-3-phenylbenzene;2,6,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene (CID 162065006) is 3,7-dimethylisoquinoline;1,4-dimethylnaphthalene;2,6-dimethylquinoline;3,7-dimethylquinoline;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,5-dimethyl-3-phenylbenzene;2,6,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene.
What is the SMILES notation for 3,7-dimethylisoquinoline;1,4-dimethylnaphthalene;2,6-dimethylquinoline;3,7-dimethylquinoline;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,5-dimethyl-3-phenylbenzene;2,6,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene?
The canonical SMILES for 3,7-dimethylisoquinoline;1,4-dimethylnaphthalene;2,6-dimethylquinoline;3,7-dimethylquinoline;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,5-dimethyl-3-phenylbenzene;2,6,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene is Cc1cc(F)c(C)c(-c2ccccc2)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c2ccccc12.Cc1ccc2c(c1)-c1cc(C)ccc1C2(C)C.Cc1ccc2c(c1)-c1ccc(C)cc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2cc(C)ncc2c1.Cc1ccc2nc(C)ccc2c1.Cc1cnc2cc(C)ccc2c1.
What is the InChIKey of 3,7-dimethylisoquinoline;1,4-dimethylnaphthalene;2,6-dimethylquinoline;3,7-dimethylquinoline;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,5-dimethyl-3-phenylbenzene;2,6,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene?
The InChIKey is ZAIOXLYJLXDTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H18.C14H13F.C12H12.3C11H11N.C8H9F/c1-11-6-8-15-14(9-11)13-7-5-12(2)10-16(13)17(15,3)4;1-11-5-7-15-13(9-11)14-10-12(2)6-8-16(14)17(15,3)4;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-10-8-13(11(2)14(15)9-10)12-6-4-3-5-7-12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-8-3-4-10-5-9(2)7-12-11(10)6-8;1-8-3-4-10-6-9(2)12-7-11(10)5-8;1-6-3-4-7(2)8(9)5-6/h3*5-10H,1-4H3;3-9H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3-5H,1-2H3.
What are the key properties of 3,7-dimethylisoquinoline;1,4-dimethylnaphthalene;2,6-dimethylquinoline;3,7-dimethylquinoline;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,5-dimethyl-3-phenylbenzene;2,6,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene?
3,7-dimethylisoquinoline;1,4-dimethylnaphthalene;2,6-dimethylquinoline;3,7-dimethylquinoline;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,5-dimethyl-3-phenylbenzene;2,6,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene has a molecular weight of 1619.28 g/mol, XLogP of 32.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylisoquinoline;1,4-dimethylnaphthalene;2,6-dimethylquinoline;3,7-dimethylquinoline;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,5-dimethyl-3-phenylbenzene;2,6,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene is sourced from PubChem (CID 162065006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).