1,3-ditert-butyl-9H-fluorene

C21H26 — CID 175163483

IUPAC1,3-ditert-butyl-9H-fluorene
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)Cc1ccccc1-2
InChIInChI=1S/C21H26/c1-20(2,3)15-12-17-16-10-8-7-9-14(16)11-18(17)19(13-15)21(4,5)6/h7-10,12-13H,11H2,1-6H3
InChIKeyFOEMHXTYTVONIP-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.85
Rot. Bonds

About 1,3-ditert-butyl-9H-fluorene

1,3-ditert-butyl-9H-fluorene (PubChem CID 175163483) has the molecular formula C21H26 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1,3-ditert-butyl-9H-fluorene.

Molecular Properties

Compound Name1,3-ditert-butyl-9H-fluorene
PubChem CID175163483
Molecular FormulaC21H26
Molecular Weight278.44 g/mol
Exact Mass278.20
IUPAC Name1,3-ditert-butyl-9H-fluorene
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)Cc1ccccc1-2
InChIInChI=1S/C21H26/c1-20(2,3)15-12-17-16-10-8-7-9-14(16)11-18(17)19(13-15)21(4,5)6/h7-10,12-13H,11H2,1-6H3
InChIKeyFOEMHXTYTVONIP-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene
CID 151464335
1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene
CID 141254702
N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine
CID 87185294
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-bromo-3,6-ditert-butyl-9H-fluorene
CID 152720081
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
2,3-ditert-butyl-10H-anthracen-9-one
CID 58769690
1-tert-butyl-2-phenyl-9H-fluorene
CID 172750922
2-chloro-4-[2-[3-chloro-5-(9H-fluoren-1-yl)-4-hydroxyphenyl]propan-2-yl]-6-(9H-fluoren-1-yl)phenol
CID 157354326
1-[2-[1,1,1,3,3,3-hexafluoro-2-[2-(3-methyl-9H-fluoren-1-yl)phenyl]propan-2-yl]phenyl]-3-methyl-9H-fluorene
CID 157086411
1,2-dimethyl-9H-fluoren-3-ol
CID 162039436
9H-fluorene;oxophosphane
CID 174601741

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-9H-fluorene?
The IUPAC name of 1,3-ditert-butyl-9H-fluorene (CID 175163483) is 1,3-ditert-butyl-9H-fluorene.
What is the SMILES notation for 1,3-ditert-butyl-9H-fluorene?
The canonical SMILES for 1,3-ditert-butyl-9H-fluorene is CC(C)(C)c1cc2c(c(C(C)(C)C)c1)Cc1ccccc1-2.
What is the InChIKey of 1,3-ditert-butyl-9H-fluorene?
The InChIKey is FOEMHXTYTVONIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26/c1-20(2,3)15-12-17-16-10-8-7-9-14(16)11-18(17)19(13-15)21(4,5)6/h7-10,12-13H,11H2,1-6H3.
What are the key properties of 1,3-ditert-butyl-9H-fluorene?
1,3-ditert-butyl-9H-fluorene has a molecular weight of 278.44 g/mol, XLogP of 5.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-9H-fluorene is sourced from PubChem (CID 175163483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).