tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene

C232H240 — CID 157389689

IUPACtetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/4C25H18.4C15H14.8C7H8.8C2H6/c4*1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;4*1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;8*1-7-5-3-2-4-6-7;8*1-2/h4*1-18H;4*3-10H,1-2H3;8*2-6H,1H3;8*1-2H3
InChIKeyBLVWPSRABUYTPS-UHFFFAOYSA-N
MW3028.47 g/mol
LogP64.34
Rot. Bonds8

About tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene

tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene (PubChem CID 157389689) has the molecular formula C232H240 and a molecular weight of 3028.47 g/mol. Its IUPAC name is tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene.

Molecular Properties

Compound Nametetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene
PubChem CID157389689
Molecular FormulaC232H240
Molecular Weight3028.47 g/mol
Exact Mass3025.88
IUPAC Nametetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/4C25H18.4C15H14.8C7H8.8C2H6/c4*1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;4*1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;8*1-7-5-3-2-4-6-7;8*1-2/h4*1-18H;4*3-10H,1-2H3;8*2-6H,1H3;8*1-2H3
InChIKeyBLVWPSRABUYTPS-UHFFFAOYSA-N
XLogP64.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms232
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003028.47
LogP ≤ 564.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene with MolForge

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

Launch Full Analysis

Related Compounds

9,9-dimethylfluorene;tris(N,N-dimethylmethanamine);9,9-diphenylfluorene;ethane;tetrakis(9,9'-spirobi[fluorene])
CID 161352369
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
9,9-diphenylfluorene;propane
CID 158205050
9,9-diphenylfluorene;methoxymethane
CID 143139467
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene
CID 161069048
4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene
CID 171742930
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
1-(4-methylphenyl)-9,9-diphenylfluorene
CID 123914511

Frequently Asked Questions

What is the IUPAC name of tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene?
The IUPAC name of tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene (CID 157389689) is tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene.
What is the SMILES notation for tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene?
The canonical SMILES for tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene?
The InChIKey is BLVWPSRABUYTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C25H18.4C15H14.8C7H8.8C2H6/c4*1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;4*1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;8*1-7-5-3-2-4-6-7;8*1-2/h4*1-18H;4*3-10H,1-2H3;8*2-6H,1H3;8*1-2H3.
What are the key properties of tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene?
tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene has a molecular weight of 3028.47 g/mol, XLogP of 64.34, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene is sourced from PubChem (CID 157389689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).