2-(3,5-dimethylphenyl)-1,3,5-trimethylbenzene;1,2,3,9,9-pentamethylfluorene;1,3,7,9,9-pentamethylfluorene;2,4,9,9-tetramethylfluorene

C70H78 — CID 159155422

IUPAC2-(3,5-dimethylphenyl)-1,3,5-trimethylbenzene;1,2,3,9,9-pentamethylfluorene;1,3,7,9,9-pentamethylfluorene;2,4,9,9-tetramethylfluorene
SMILESCc1cc(C)c2c(c1)-c1ccc(C)cc1C2(C)C.Cc1cc(C)c2c(c1)C(C)(C)c1ccccc1-2.Cc1cc(C)cc(-c2c(C)cc(C)cc2C)c1.Cc1cc2c(c(C)c1C)C(C)(C)c1ccccc1-2
InChIInChI=1S/2C18H20.C17H18.C17H20/c1-11-6-7-14-15-9-12(2)8-13(3)17(15)18(4,5)16(14)10-11;1-11-10-15-14-8-6-7-9-16(14)18(4,5)17(15)13(3)12(11)2;1-11-9-12(2)16-13-7-5-6-8-14(13)17(3,4)15(16)10-11;1-11-6-12(2)10-16(9-11)17-14(4)7-13(3)8-15(17)5/h2*6-10H,1-5H3;5-10H,1-4H3;6-10H,1-5H3
InChIKeyKJVGABXBZCVMLD-UHFFFAOYSA-N
MW919.39 g/mol
LogP19.34
Rot. Bonds1

About 2-(3,5-dimethylphenyl)-1,3,5-trimethylbenzene;1,2,3,9,9-pentamethylfluorene;1,3,7,9,9-pentamethylfluorene;2,4,9,9-tetramethylfluorene

2-(3,5-dimethylphenyl)-1,3,5-trimethylbenzene;1,2,3,9,9-pentamethylfluorene;1,3,7,9,9-pentamethylfluorene;2,4,9,9-tetramethylfluorene (PubChem CID 159155422) has the molecular formula C70H78 and a molecular weight of 919.39 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1,3,5-trimethylbenzene;1,2,3,9,9-pentamethylfluorene;1,3,7,9,9-pentamethylfluorene;2,4,9,9-tetramethylfluorene.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1,3,5-trimethylbenzene;1,2,3,9,9-pentamethylfluorene;1,3,7,9,9-pentamethylfluorene;2,4,9,9-tetramethylfluorene
PubChem CID159155422
Molecular FormulaC70H78
Molecular Weight919.39 g/mol
Exact Mass918.61
IUPAC Name2-(3,5-dimethylphenyl)-1,3,5-trimethylbenzene;1,2,3,9,9-pentamethylfluorene;1,3,7,9,9-pentamethylfluorene;2,4,9,9-tetramethylfluorene
SMILESCc1cc(C)c2c(c1)-c1ccc(C)cc1C2(C)C.Cc1cc(C)c2c(c1)C(C)(C)c1ccccc1-2.Cc1cc(C)cc(-c2c(C)cc(C)cc2C)c1.Cc1cc2c(c(C)c1C)C(C)(C)c1ccccc1-2
InChIInChI=1S/2C18H20.C17H18.C17H20/c1-11-6-7-14-15-9-12(2)8-13(3)17(15)18(4,5)16(14)10-11;1-11-10-15-14-8-6-7-9-16(14)18(4,5)17(15)13(3)12(11)2;1-11-9-12(2)16-13-7-5-6-8-14(13)17(3,4)15(16)10-11;1-11-6-12(2)10-16(9-11)17-14(4)7-13(3)8-15(17)5/h2*6-10H,1-5H3;5-10H,1-4H3;6-10H,1-5H3
InChIKeyKJVGABXBZCVMLD-UHFFFAOYSA-N
XLogP19.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.39
LogP ≤ 519.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(3,5-dimethylphenyl)-1,3,5-trimethylbenzene;1,2,3,9,9-pentamethylfluorene;1,3,7,9,9-pentamethylfluorene;2,4,9,9-tetramethylfluorene with MolForge

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Related Compounds

1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;2-(3,5-dimethylphenyl)-1,3,5-trimethylbenzene;2-fluoro-7,9,9-trimethylfluorene;1,2,3,9,9-pentamethylfluorene;1,3,7,9,9-pentamethylfluorene;2,4,9,9-tetramethylfluorene
CID 158907095
toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)
CID 160789505
9,9-dimethyl-2-(2,4,6-trimethylphenyl)fluorene
CID 176635457
9,9-dimethyl-2-(3-methylphenyl)fluorene;9,9-dimethyl-2-(4-methylphenyl)fluorene;1,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene;1,9,9-trimethyl-7-phenylfluorene;6,9,9-trimethyl-2-phenylfluorene
CID 159835700
1,9,9-trimethyl-4-phenylfluorene;1,9,9-trimethyl-7-phenylfluorene;2,9,9-trimethyl-7-phenylfluorene;4,9,9-trimethyl-2-phenylfluorene;5,9,9-trimethyl-2-phenylfluorene;6,9,9-trimethyl-2-phenylfluorene
CID 158427752
9,9-dimethyl-2-(4-methylphenyl)fluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 162061427
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 159829393
2,6,6,10,12,12-hexamethylindeno[1,2-b]fluorene
CID 142540848
9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene
CID 142541100
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene
CID 159806985

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1,3,5-trimethylbenzene;1,2,3,9,9-pentamethylfluorene;1,3,7,9,9-pentamethylfluorene;2,4,9,9-tetramethylfluorene?
The IUPAC name of 2-(3,5-dimethylphenyl)-1,3,5-trimethylbenzene;1,2,3,9,9-pentamethylfluorene;1,3,7,9,9-pentamethylfluorene;2,4,9,9-tetramethylfluorene (CID 159155422) is 2-(3,5-dimethylphenyl)-1,3,5-trimethylbenzene;1,2,3,9,9-pentamethylfluorene;1,3,7,9,9-pentamethylfluorene;2,4,9,9-tetramethylfluorene.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1,3,5-trimethylbenzene;1,2,3,9,9-pentamethylfluorene;1,3,7,9,9-pentamethylfluorene;2,4,9,9-tetramethylfluorene?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1,3,5-trimethylbenzene;1,2,3,9,9-pentamethylfluorene;1,3,7,9,9-pentamethylfluorene;2,4,9,9-tetramethylfluorene is Cc1cc(C)c2c(c1)-c1ccc(C)cc1C2(C)C.Cc1cc(C)c2c(c1)C(C)(C)c1ccccc1-2.Cc1cc(C)cc(-c2c(C)cc(C)cc2C)c1.Cc1cc2c(c(C)c1C)C(C)(C)c1ccccc1-2.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1,3,5-trimethylbenzene;1,2,3,9,9-pentamethylfluorene;1,3,7,9,9-pentamethylfluorene;2,4,9,9-tetramethylfluorene?
The InChIKey is KJVGABXBZCVMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H20.C17H18.C17H20/c1-11-6-7-14-15-9-12(2)8-13(3)17(15)18(4,5)16(14)10-11;1-11-10-15-14-8-6-7-9-16(14)18(4,5)17(15)13(3)12(11)2;1-11-9-12(2)16-13-7-5-6-8-14(13)17(3,4)15(16)10-11;1-11-6-12(2)10-16(9-11)17-14(4)7-13(3)8-15(17)5/h2*6-10H,1-5H3;5-10H,1-4H3;6-10H,1-5H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1,3,5-trimethylbenzene;1,2,3,9,9-pentamethylfluorene;1,3,7,9,9-pentamethylfluorene;2,4,9,9-tetramethylfluorene?
2-(3,5-dimethylphenyl)-1,3,5-trimethylbenzene;1,2,3,9,9-pentamethylfluorene;1,3,7,9,9-pentamethylfluorene;2,4,9,9-tetramethylfluorene has a molecular weight of 919.39 g/mol, XLogP of 19.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1,3,5-trimethylbenzene;1,2,3,9,9-pentamethylfluorene;1,3,7,9,9-pentamethylfluorene;2,4,9,9-tetramethylfluorene is sourced from PubChem (CID 159155422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).