2-(9H-fluoren-1-yl)anthracene

C27H18 — CID 151119003

IUPAC2-(9H-fluoren-1-yl)anthracene
SMILESc1ccc2c(c1)Cc1c(-c3ccc4cc5ccccc5cc4c3)cccc1-2
InChIInChI=1S/C27H18/c1-2-7-19-15-23-16-22(13-12-20(23)14-18(19)6-1)25-10-5-11-26-24-9-4-3-8-21(24)17-27(25)26/h1-16H,17H2
InChIKeyMRUBFKYXNDQBMY-UHFFFAOYSA-N
MW342.44 g/mol
LogP7.23
Rot. Bonds1

About 2-(9H-fluoren-1-yl)anthracene

2-(9H-fluoren-1-yl)anthracene (PubChem CID 151119003) has the molecular formula C27H18 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(9H-fluoren-1-yl)anthracene.

Molecular Properties

Compound Name2-(9H-fluoren-1-yl)anthracene
PubChem CID151119003
Molecular FormulaC27H18
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name2-(9H-fluoren-1-yl)anthracene
SMILESc1ccc2c(c1)Cc1c(-c3ccc4cc5ccccc5cc4c3)cccc1-2
InChIInChI=1S/C27H18/c1-2-7-19-15-23-16-22(13-12-20(23)14-18(19)6-1)25-10-5-11-26-24-9-4-3-8-21(24)17-27(25)26/h1-16H,17H2
InChIKeyMRUBFKYXNDQBMY-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1,2-bis(9H-fluoren-1-yl)anthracene
CID 174494637
1-(4-iodophenyl)-9H-fluorene
CID 154332097
9-[3-(9H-fluoren-1-yl)phenyl]-10-naphthalen-1-ylanthracene
CID 143848200
1-[3-(3-methylphenyl)phenyl]-9H-fluorene
CID 159755340
1-(3,5-dimethoxyphenyl)-9H-fluorene
CID 152594732
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
4-[4-(9H-fluoren-1-yl)phenoxy]aniline
CID 141303700
2-naphthalen-1-ylanthracene
CID 2748705
4-(9H-fluoren-1-yl)benzonitrile
CID 154389455

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-1-yl)anthracene?
The IUPAC name of 2-(9H-fluoren-1-yl)anthracene (CID 151119003) is 2-(9H-fluoren-1-yl)anthracene.
What is the SMILES notation for 2-(9H-fluoren-1-yl)anthracene?
The canonical SMILES for 2-(9H-fluoren-1-yl)anthracene is c1ccc2c(c1)Cc1c(-c3ccc4cc5ccccc5cc4c3)cccc1-2.
What is the InChIKey of 2-(9H-fluoren-1-yl)anthracene?
The InChIKey is MRUBFKYXNDQBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18/c1-2-7-19-15-23-16-22(13-12-20(23)14-18(19)6-1)25-10-5-11-26-24-9-4-3-8-21(24)17-27(25)26/h1-16H,17H2.
What are the key properties of 2-(9H-fluoren-1-yl)anthracene?
2-(9H-fluoren-1-yl)anthracene has a molecular weight of 342.44 g/mol, XLogP of 7.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-1-yl)anthracene is sourced from PubChem (CID 151119003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).