1,2,3,4,5,7,8-heptamethyl-9H-fluorene;bis(1,2,3,4,5,6-hexamethylbenzene);1,2,4,5,7,8-hexamethyl-9H-fluorene;bis(1,2,3,4,5,6,7,8-octamethyl-9H-fluorene);bis(1,2,3,4,5-pentamethylbenzene)

C127H166 — CID 159697118

IUPAC1,2,3,4,5,7,8-heptamethyl-9H-fluorene;bis(1,2,3,4,5,6-hexamethylbenzene);1,2,4,5,7,8-hexamethyl-9H-fluorene;bis(1,2,3,4,5,6,7,8-octamethyl-9H-fluorene);bis(1,2,3,4,5-pentamethylbenzene)
SMILESCc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1-2.Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1-2.Cc1cc(C)c(C)c(C)c1C.Cc1cc(C)c(C)c(C)c1C.Cc1cc(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1-2.Cc1cc(C)c2c(c1C)Cc1c(C)c(C)cc(C)c1-2
InChIInChI=1S/2C21H26.C20H24.C19H22.2C12H18.2C11H16/c2*1-10-12(3)16(7)20-18(14(10)5)9-19-15(6)11(2)13(4)17(8)21(19)20;1-10-8-11(2)19-17(12(10)3)9-18-15(6)13(4)14(5)16(7)20(18)19;1-10-7-12(3)18-16(14(10)5)9-17-15(6)11(2)8-13(4)19(17)18;2*1-7-8(2)10(4)12(6)11(5)9(7)3;2*1-7-6-8(2)10(4)11(5)9(7)3/h2*9H2,1-8H3;8H,9H2,1-7H3;7-8H,9H2,1-6H3;2*1-6H3;2*6H,1-5H3
InChIKeyMXDODMDJKZBPSD-UHFFFAOYSA-N
MW1692.72 g/mol
LogP35.51
Rot. Bonds

About 1,2,3,4,5,7,8-heptamethyl-9H-fluorene;bis(1,2,3,4,5,6-hexamethylbenzene);1,2,4,5,7,8-hexamethyl-9H-fluorene;bis(1,2,3,4,5,6,7,8-octamethyl-9H-fluorene);bis(1,2,3,4,5-pentamethylbenzene)

1,2,3,4,5,7,8-heptamethyl-9H-fluorene;bis(1,2,3,4,5,6-hexamethylbenzene);1,2,4,5,7,8-hexamethyl-9H-fluorene;bis(1,2,3,4,5,6,7,8-octamethyl-9H-fluorene);bis(1,2,3,4,5-pentamethylbenzene) (PubChem CID 159697118) has the molecular formula C127H166 and a molecular weight of 1692.72 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptamethyl-9H-fluorene;bis(1,2,3,4,5,6-hexamethylbenzene);1,2,4,5,7,8-hexamethyl-9H-fluorene;bis(1,2,3,4,5,6,7,8-octamethyl-9H-fluorene);bis(1,2,3,4,5-pentamethylbenzene).

Molecular Properties

Compound Name1,2,3,4,5,7,8-heptamethyl-9H-fluorene;bis(1,2,3,4,5,6-hexamethylbenzene);1,2,4,5,7,8-hexamethyl-9H-fluorene;bis(1,2,3,4,5,6,7,8-octamethyl-9H-fluorene);bis(1,2,3,4,5-pentamethylbenzene)
PubChem CID159697118
Molecular FormulaC127H166
Molecular Weight1692.72 g/mol
Exact Mass1691.30
IUPAC Name1,2,3,4,5,7,8-heptamethyl-9H-fluorene;bis(1,2,3,4,5,6-hexamethylbenzene);1,2,4,5,7,8-hexamethyl-9H-fluorene;bis(1,2,3,4,5,6,7,8-octamethyl-9H-fluorene);bis(1,2,3,4,5-pentamethylbenzene)
SMILESCc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1-2.Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1-2.Cc1cc(C)c(C)c(C)c1C.Cc1cc(C)c(C)c(C)c1C.Cc1cc(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1-2.Cc1cc(C)c2c(c1C)Cc1c(C)c(C)cc(C)c1-2
InChIInChI=1S/2C21H26.C20H24.C19H22.2C12H18.2C11H16/c2*1-10-12(3)16(7)20-18(14(10)5)9-19-15(6)11(2)13(4)17(8)21(19)20;1-10-8-11(2)19-17(12(10)3)9-18-15(6)13(4)14(5)16(7)20(18)19;1-10-7-12(3)18-16(14(10)5)9-17-15(6)11(2)8-13(4)19(17)18;2*1-7-8(2)10(4)12(6)11(5)9(7)3;2*1-7-6-8(2)10(4)11(5)9(7)3/h2*9H2,1-8H3;8H,9H2,1-7H3;7-8H,9H2,1-6H3;2*1-6H3;2*6H,1-5H3
InChIKeyMXDODMDJKZBPSD-UHFFFAOYSA-N
XLogP35.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001692.72
LogP ≤ 535.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4,5,7,8-heptamethyl-9H-fluorene;bis(1,2,3,4,5,6-hexamethylbenzene);1,2,4,5,7,8-hexamethyl-9H-fluorene;bis(1,2,3,4,5,6,7,8-octamethyl-9H-fluorene);bis(1,2,3,4,5-pentamethylbenzene) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8-heptamethyl-9H-fluorene;bis(1,2,3,4,5,6-hexamethylbenzene);1,2,4,5,7,8-hexamethyl-9H-fluorene;bis(1,2,3,4,5,6,7,8-octamethyl-9H-fluorene);bis(1,2,3,4,5-pentamethylbenzene)?
The IUPAC name of 1,2,3,4,5,7,8-heptamethyl-9H-fluorene;bis(1,2,3,4,5,6-hexamethylbenzene);1,2,4,5,7,8-hexamethyl-9H-fluorene;bis(1,2,3,4,5,6,7,8-octamethyl-9H-fluorene);bis(1,2,3,4,5-pentamethylbenzene) (CID 159697118) is 1,2,3,4,5,7,8-heptamethyl-9H-fluorene;bis(1,2,3,4,5,6-hexamethylbenzene);1,2,4,5,7,8-hexamethyl-9H-fluorene;bis(1,2,3,4,5,6,7,8-octamethyl-9H-fluorene);bis(1,2,3,4,5-pentamethylbenzene).
What is the SMILES notation for 1,2,3,4,5,7,8-heptamethyl-9H-fluorene;bis(1,2,3,4,5,6-hexamethylbenzene);1,2,4,5,7,8-hexamethyl-9H-fluorene;bis(1,2,3,4,5,6,7,8-octamethyl-9H-fluorene);bis(1,2,3,4,5-pentamethylbenzene)?
The canonical SMILES for 1,2,3,4,5,7,8-heptamethyl-9H-fluorene;bis(1,2,3,4,5,6-hexamethylbenzene);1,2,4,5,7,8-hexamethyl-9H-fluorene;bis(1,2,3,4,5,6,7,8-octamethyl-9H-fluorene);bis(1,2,3,4,5-pentamethylbenzene) is Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1-2.Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1-2.Cc1cc(C)c(C)c(C)c1C.Cc1cc(C)c(C)c(C)c1C.Cc1cc(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1-2.Cc1cc(C)c2c(c1C)Cc1c(C)c(C)cc(C)c1-2.
What is the InChIKey of 1,2,3,4,5,7,8-heptamethyl-9H-fluorene;bis(1,2,3,4,5,6-hexamethylbenzene);1,2,4,5,7,8-hexamethyl-9H-fluorene;bis(1,2,3,4,5,6,7,8-octamethyl-9H-fluorene);bis(1,2,3,4,5-pentamethylbenzene)?
The InChIKey is MXDODMDJKZBPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H26.C20H24.C19H22.2C12H18.2C11H16/c2*1-10-12(3)16(7)20-18(14(10)5)9-19-15(6)11(2)13(4)17(8)21(19)20;1-10-8-11(2)19-17(12(10)3)9-18-15(6)13(4)14(5)16(7)20(18)19;1-10-7-12(3)18-16(14(10)5)9-17-15(6)11(2)8-13(4)19(17)18;2*1-7-8(2)10(4)12(6)11(5)9(7)3;2*1-7-6-8(2)10(4)11(5)9(7)3/h2*9H2,1-8H3;8H,9H2,1-7H3;7-8H,9H2,1-6H3;2*1-6H3;2*6H,1-5H3.
What are the key properties of 1,2,3,4,5,7,8-heptamethyl-9H-fluorene;bis(1,2,3,4,5,6-hexamethylbenzene);1,2,4,5,7,8-hexamethyl-9H-fluorene;bis(1,2,3,4,5,6,7,8-octamethyl-9H-fluorene);bis(1,2,3,4,5-pentamethylbenzene)?
1,2,3,4,5,7,8-heptamethyl-9H-fluorene;bis(1,2,3,4,5,6-hexamethylbenzene);1,2,4,5,7,8-hexamethyl-9H-fluorene;bis(1,2,3,4,5,6,7,8-octamethyl-9H-fluorene);bis(1,2,3,4,5-pentamethylbenzene) has a molecular weight of 1692.72 g/mol, XLogP of 35.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,7,8-heptamethyl-9H-fluorene;bis(1,2,3,4,5,6-hexamethylbenzene);1,2,4,5,7,8-hexamethyl-9H-fluorene;bis(1,2,3,4,5,6,7,8-octamethyl-9H-fluorene);bis(1,2,3,4,5-pentamethylbenzene) is sourced from PubChem (CID 159697118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).