bis(2,7-dimethyl-9H-fluorene);ethane;methane

C40H64 — CID 159270379

IUPACbis(2,7-dimethyl-9H-fluorene);ethane;methane
SMILESC.C.C.C.C.C.CC.CC.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccc2c(c1)Cc1cc(C)ccc1-2
InChIInChI=1S/2C15H14.2C2H6.6CH4/c2*1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;2*1-2;;;;;;/h2*3-8H,9H2,1-2H3;2*1-2H3;6*1H4
InChIKeyKXQFYQFMMUCKJN-UHFFFAOYSA-N
MW544.95 g/mol
LogP13.62
Rot. Bonds

About bis(2,7-dimethyl-9H-fluorene);ethane;methane

bis(2,7-dimethyl-9H-fluorene);ethane;methane (PubChem CID 159270379) has the molecular formula C40H64 and a molecular weight of 544.95 g/mol. Its IUPAC name is bis(2,7-dimethyl-9H-fluorene);ethane;methane.

Molecular Properties

Compound Namebis(2,7-dimethyl-9H-fluorene);ethane;methane
PubChem CID159270379
Molecular FormulaC40H64
Molecular Weight544.95 g/mol
Exact Mass544.50
IUPAC Namebis(2,7-dimethyl-9H-fluorene);ethane;methane
SMILESC.C.C.C.C.C.CC.CC.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccc2c(c1)Cc1cc(C)ccc1-2
InChIInChI=1S/2C15H14.2C2H6.6CH4/c2*1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;2*1-2;;;;;;/h2*3-8H,9H2,1-2H3;2*1-2H3;6*1H4
InChIKeyKXQFYQFMMUCKJN-UHFFFAOYSA-N
XLogP13.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.95
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

butane;2,7-dimethyl-9H-fluorene;ethane;methane
CID 143631351
10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene
CID 157144570
dichlorozirconium;2,7-dimethyl-9H-fluorene
CID 174320466
2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene
CID 159175556
2-bromo-7-methyl-9H-fluorene
CID 21041918
1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene
CID 163621135
1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene
CID 159931910
2,7-dimethyl-9,10-dihydrophenanthrene
CID 23550290
ethane;2-methyl-7-prop-1-ynyl-9H-fluorene
CID 90768512
3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene
CID 21042275
5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 23561339
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368

Frequently Asked Questions

What is the IUPAC name of bis(2,7-dimethyl-9H-fluorene);ethane;methane?
The IUPAC name of bis(2,7-dimethyl-9H-fluorene);ethane;methane (CID 159270379) is bis(2,7-dimethyl-9H-fluorene);ethane;methane.
What is the SMILES notation for bis(2,7-dimethyl-9H-fluorene);ethane;methane?
The canonical SMILES for bis(2,7-dimethyl-9H-fluorene);ethane;methane is C.C.C.C.C.C.CC.CC.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.
What is the InChIKey of bis(2,7-dimethyl-9H-fluorene);ethane;methane?
The InChIKey is KXQFYQFMMUCKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H14.2C2H6.6CH4/c2*1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;2*1-2;;;;;;/h2*3-8H,9H2,1-2H3;2*1-2H3;6*1H4.
What are the key properties of bis(2,7-dimethyl-9H-fluorene);ethane;methane?
bis(2,7-dimethyl-9H-fluorene);ethane;methane has a molecular weight of 544.95 g/mol, XLogP of 13.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,7-dimethyl-9H-fluorene);ethane;methane is sourced from PubChem (CID 159270379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).