1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene

C25H26 — CID 151273743

IUPAC1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene
SMILESCC(C)c1cccc(-c2cccc3c2Cc2ccccc2-3)c1C(C)C
InChIInChI=1S/C25H26/c1-16(2)19-11-7-14-23(25(19)17(3)4)22-13-8-12-21-20-10-6-5-9-18(20)15-24(21)22/h5-14,16-17H,15H2,1-4H3
InChIKeyNWXSINLTKVCWKS-UHFFFAOYSA-N
MW326.48 g/mol
LogP7.17
Rot. Bonds3

About 1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene

1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene (PubChem CID 151273743) has the molecular formula C25H26 and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene.

Molecular Properties

Compound Name1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene
PubChem CID151273743
Molecular FormulaC25H26
Molecular Weight326.48 g/mol
Exact Mass326.20
IUPAC Name1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene
SMILESCC(C)c1cccc(-c2cccc3c2Cc2ccccc2-3)c1C(C)C
InChIInChI=1S/C25H26/c1-16(2)19-11-7-14-23(25(19)17(3)4)22-13-8-12-21-20-10-6-5-9-18(20)15-24(21)22/h5-14,16-17H,15H2,1-4H3
InChIKeyNWXSINLTKVCWKS-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1,2-di(propan-2-yl)-3-(2-propan-2-ylphenyl)benzene;gold(1+);chloride
CID 90072599
1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole
CID 159190073
2-(9H-fluoren-1-yl)-3-phenyl-4,5-di(propan-2-yl)phenol
CID 151547134
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1,8-di(propan-2-yl)-9H-fluorene
CID 160592533
1-[1-[1-[1-(1-methoxyethoxy)ethoxy]ethoxy]ethyl]-9H-fluorene
CID 175089715
1-(4-propan-2-yl-1H-inden-1-yl)-9H-fluorene
CID 22910379
1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride
CID 19935939
1-[2-(9H-fluoren-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride
CID 87566723
4-(9H-fluoren-1-yl)pentan-2-ol
CID 151971706
1-(4-ethoxy-3-propan-2-ylphenyl)-9H-fluorene
CID 175394997

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene?
The IUPAC name of 1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene (CID 151273743) is 1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene.
What is the SMILES notation for 1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene?
The canonical SMILES for 1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene is CC(C)c1cccc(-c2cccc3c2Cc2ccccc2-3)c1C(C)C.
What is the InChIKey of 1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene?
The InChIKey is NWXSINLTKVCWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26/c1-16(2)19-11-7-14-23(25(19)17(3)4)22-13-8-12-21-20-10-6-5-9-18(20)15-24(21)22/h5-14,16-17H,15H2,1-4H3.
What are the key properties of 1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene?
1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene has a molecular weight of 326.48 g/mol, XLogP of 7.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene is sourced from PubChem (CID 151273743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).