1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene

C30H26 — CID 22912623

IUPAC1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene
SMILESCCc1ccc2c(c1-c1ccc(C)c3c1Cc1cccc(C)c1-3)Cc1ccccc1-2
InChIInChI=1S/C30H26/c1-4-20-13-15-24-23-11-6-5-9-21(23)16-26(24)30(20)25-14-12-19(3)29-27(25)17-22-10-7-8-18(2)28(22)29/h5-15H,4,16-17H2,1-3H3
InChIKeyXWZLMSRDTXOZFG-UHFFFAOYSA-N
MW386.54 g/mol
LogP7.68
Rot. Bonds2

About 1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene

1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene (PubChem CID 22912623) has the molecular formula C30H26 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene.

Molecular Properties

Compound Name1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene
PubChem CID22912623
Molecular FormulaC30H26
Molecular Weight386.54 g/mol
Exact Mass386.20
IUPAC Name1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene
SMILESCCc1ccc2c(c1-c1ccc(C)c3c1Cc1cccc(C)c1-3)Cc1ccccc1-2
InChIInChI=1S/C30H26/c1-4-20-13-15-24-23-11-6-5-9-21(23)16-26(24)30(20)25-14-12-19(3)29-27(25)17-22-10-7-8-18(2)28(22)29/h5-15H,4,16-17H2,1-3H3
InChIKeyXWZLMSRDTXOZFG-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-diethyl-9H-fluorene
CID 23440471
4-ethyl-1-[2-(4-ethylphenyl)phenyl]-9H-fluorene
CID 150954424
1,2-bis(2-methylphenyl)-9H-fluorene
CID 23369064
ethane;1-ethyl-9H-fluorene;propane
CID 167686584
1-ethenyl-2-ethyl-9H-fluorene
CID 158586423
1-butyl-5-methyl-9H-fluorene
CID 173246680
2-butyl-1-phenyl-9H-fluorene
CID 154085968
2-methyl-1-[2-(2-methyl-9H-fluoren-1-yl)ethyl]-9H-fluorene
CID 22912619
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
2-(1-ethyl-9H-fluoren-2-yl)acetic acid
CID 158650084
4-(4-ethyl-9H-fluoren-1-yl)-2-iodo-3-methoxy-6-methylbenzonitrile
CID 151999045

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene?
The IUPAC name of 1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene (CID 22912623) is 1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene.
What is the SMILES notation for 1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene?
The canonical SMILES for 1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene is CCc1ccc2c(c1-c1ccc(C)c3c1Cc1cccc(C)c1-3)Cc1ccccc1-2.
What is the InChIKey of 1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene?
The InChIKey is XWZLMSRDTXOZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26/c1-4-20-13-15-24-23-11-6-5-9-21(23)16-26(24)30(20)25-14-12-19(3)29-27(25)17-22-10-7-8-18(2)28(22)29/h5-15H,4,16-17H2,1-3H3.
What are the key properties of 1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene?
1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene has a molecular weight of 386.54 g/mol, XLogP of 7.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene is sourced from PubChem (CID 22912623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).