toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)

C156H160 — CID 160789505

IUPACtoluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)
SMILESCc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1cccc2c1-c1ccccc1C2(C)C.Cc1cccc2c1-c1ccccc1C2(C)C.Cc1cccc2c1C(C)(C)c1ccccc1-2.Cc1cccc2c1C(C)(C)c1ccccc1-2.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/8C16H16.4C7H8/c2*1-11-7-6-9-13-12-8-4-5-10-14(12)16(2,3)15(11)13;2*1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3;2*1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;2*1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;4*1-7-5-3-2-4-6-7/h8*4-10H,1-3H3;4*2-6H,1H3
InChIKeySBQNXJPJPKZECI-UHFFFAOYSA-N
MW2035.00 g/mol
LogP42.39
Rot. Bonds

About toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)

toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene) (PubChem CID 160789505) has the molecular formula C156H160 and a molecular weight of 2035.00 g/mol. Its IUPAC name is toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene).

Molecular Properties

Compound Nametoluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)
PubChem CID160789505
Molecular FormulaC156H160
Molecular Weight2035.00 g/mol
Exact Mass2033.25
IUPAC Nametoluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)
SMILESCc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1cccc2c1-c1ccccc1C2(C)C.Cc1cccc2c1-c1ccccc1C2(C)C.Cc1cccc2c1C(C)(C)c1ccccc1-2.Cc1cccc2c1C(C)(C)c1ccccc1-2.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/8C16H16.4C7H8/c2*1-11-7-6-9-13-12-8-4-5-10-14(12)16(2,3)15(11)13;2*1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3;2*1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;2*1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;4*1-7-5-3-2-4-6-7/h8*4-10H,1-3H3;4*2-6H,1H3
InChIKeySBQNXJPJPKZECI-UHFFFAOYSA-N
XLogP42.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002035.00
LogP ≤ 542.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
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
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
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene
CID 159806985
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
9-methylcarbazole;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;toluene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 160599586
2,6,6,10,12,12-hexamethylindeno[1,2-b]fluorene
CID 142540848
1,8-dimethyl-9,9-diphenylfluorene;2,7-dimethyl-9,9-diphenylfluorene;1,4,9,9-tetramethylfluorene;1,5,9,9-tetramethylfluorene;1,7,9,9-tetramethylfluorene;1,8,9,9-tetramethylfluorene;2,5,9,9-tetramethylfluorene;4,5,9,9-tetramethylfluorene
CID 161209539
9,9-dimethyl-1-(2-methylphenyl)fluorene;9,9-dimethyl-1-(3-methylphenyl)fluorene;9,9-dimethyl-3-(2-methylphenyl)fluorene;9,9-dimethyl-3-(3-methylphenyl)fluorene;9,9-dimethyl-3-(4-methylphenyl)fluorene;2,9,9-trimethyl-5-phenylfluorene
CID 161175063
5-(4-methylphenyl)-3,9-diphenylcarbazole;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene;2,9,9-trimethyl-7-phenylfluorene
CID 162007597
2,9-dimethylcarbazole;3,9-dimethylcarbazole;2,6-dimethylnaphthalene;1-methylnaphthalene;2-methylnaphthalene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 159508600
9,9-dimethyl-1-(2-methylphenyl)fluorene;9,9-dimethyl-1-(3-methylphenyl)fluorene;9,9-dimethyl-3-(2-methylphenyl)fluorene;9,9-dimethyl-3-(3-methylphenyl)fluorene;9,9-dimethyl-3-(4-methylphenyl)fluorene;3,9,9-trimethyl-4-phenylfluorene
CID 157253194

Frequently Asked Questions

What is the IUPAC name of toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)?
The IUPAC name of toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene) (CID 160789505) is toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene).
What is the SMILES notation for toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)?
The canonical SMILES for toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene) is Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1cccc2c1-c1ccccc1C2(C)C.Cc1cccc2c1-c1ccccc1C2(C)C.Cc1cccc2c1C(C)(C)c1ccccc1-2.Cc1cccc2c1C(C)(C)c1ccccc1-2.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)?
The InChIKey is SBQNXJPJPKZECI-UHFFFAOYSA-N. The full InChI is InChI=1S/8C16H16.4C7H8/c2*1-11-7-6-9-13-12-8-4-5-10-14(12)16(2,3)15(11)13;2*1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3;2*1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;2*1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;4*1-7-5-3-2-4-6-7/h8*4-10H,1-3H3;4*2-6H,1H3.
What are the key properties of toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)?
toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene) has a molecular weight of 2035.00 g/mol, XLogP of 42.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene) is sourced from PubChem (CID 160789505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).