1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene

C45H42 — CID 159443497

IUPAC1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene
SMILESCc1cc2c(cc1C)-c1ccccc1C2.Cc1ccc2c(c1C)-c1ccccc1C2.Cc1ccc2c(c1C)Cc1ccccc1-2
InChIInChI=1S/3C15H14/c1-10-7-13-9-12-5-3-4-6-14(12)15(13)8-11(10)2;1-10-7-8-13-9-12-5-3-4-6-14(12)15(13)11(10)2;1-10-7-8-14-13-6-4-3-5-12(13)9-15(14)11(10)2/h3*3-8H,9H2,1-2H3
InChIKeyLSLSEWXJTXRJLH-UHFFFAOYSA-N
MW582.83 g/mol
LogP11.62
Rot. Bonds

About 1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene

1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene (PubChem CID 159443497) has the molecular formula C45H42 and a molecular weight of 582.83 g/mol. Its IUPAC name is 1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene.

Molecular Properties

Compound Name1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene
PubChem CID159443497
Molecular FormulaC45H42
Molecular Weight582.83 g/mol
Exact Mass582.33
IUPAC Name1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene
SMILESCc1cc2c(cc1C)-c1ccccc1C2.Cc1ccc2c(c1C)-c1ccccc1C2.Cc1ccc2c(c1C)Cc1ccccc1-2
InChIInChI=1S/3C15H14/c1-10-7-13-9-12-5-3-4-6-14(12)15(13)8-11(10)2;1-10-7-8-13-9-12-5-3-4-6-14(12)15(13)11(10)2;1-10-7-8-14-13-6-4-3-5-12(13)9-15(14)11(10)2/h3*3-8H,9H2,1-2H3
InChIKeyLSLSEWXJTXRJLH-UHFFFAOYSA-N
XLogP11.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.83
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(1,2-dimethyl-9H-fluorene);bis(2,3-dimethyl-9H-fluorene);3,4-dimethyl-9H-fluorene
CID 163707739
bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane
CID 160769436
1,2-dimethyl-9H-fluorene;1,2,3-trimethyl-9H-fluorene;1,2,4-trimethyl-9H-fluorene;1,2,5-trimethyl-9H-fluorene;1,2,6-trimethyl-9H-fluorene;1,2,7-trimethyl-9H-fluorene
CID 158743052
9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene
CID 173160450
10-methyl-7,12-dihydroindeno[1,2-a]fluorene
CID 161385302
carbanide;tetrakis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);10,12-dihydroindeno[2,1-b]fluorene;ethane;propane;(yttrium)
CID 157436850
ethane;methane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methyl-9H-fluoren-3-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-2-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-4-yl)pyridin-1-ium
CID 159448244
3,4-dimethyl-11H-benzo[b]fluorene
CID 159162608
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368
8,9-dimethyl-7H-benzo[c]fluorene
CID 159520619
(1,2-dimethyl-9H-fluoren-4-yl)boronic acid
CID 142743472

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene?
The IUPAC name of 1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene (CID 159443497) is 1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene.
What is the SMILES notation for 1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene?
The canonical SMILES for 1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene is Cc1cc2c(cc1C)-c1ccccc1C2.Cc1ccc2c(c1C)-c1ccccc1C2.Cc1ccc2c(c1C)Cc1ccccc1-2.
What is the InChIKey of 1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene?
The InChIKey is LSLSEWXJTXRJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H14/c1-10-7-13-9-12-5-3-4-6-14(12)15(13)8-11(10)2;1-10-7-8-13-9-12-5-3-4-6-14(12)15(13)11(10)2;1-10-7-8-14-13-6-4-3-5-12(13)9-15(14)11(10)2/h3*3-8H,9H2,1-2H3.
What are the key properties of 1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene?
1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene has a molecular weight of 582.83 g/mol, XLogP of 11.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene is sourced from PubChem (CID 159443497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).