9-nonyl-9H-fluorene

C22H28 — CID 22568532

IUPAC9-nonyl-9H-fluorene
SMILESCCCCCCCCCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H28/c1-2-3-4-5-6-7-8-13-18-19-14-9-11-16-21(19)22-17-12-10-15-20(18)22/h9-12,14-18H,2-8,13H2,1H3
InChIKeyPXNAGCPTYYVRKU-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.94
Rot. Bonds8

About 9-nonyl-9H-fluorene

9-nonyl-9H-fluorene (PubChem CID 22568532) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 9-nonyl-9H-fluorene.

Molecular Properties

Compound Name9-nonyl-9H-fluorene
PubChem CID22568532
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name9-nonyl-9H-fluorene
SMILESCCCCCCCCCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H28/c1-2-3-4-5-6-7-8-13-18-19-14-9-11-16-21(19)22-17-12-10-15-20(18)22/h9-12,14-18H,2-8,13H2,1H3
InChIKeyPXNAGCPTYYVRKU-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,7-bis[6-(9H-fluoren-9-yl)hexoxy]-3,6,10,11-tetrapentoxytriphenylene
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2-(dibromomethyl)-9-octyl-9H-fluorene
CID 141093380
9H-carbazole;diphenylphosphane;9-pentyl-9H-fluorene;hydrate
CID 174867049
9-hexyl-9H-fluorene-2,7-diamine
CID 66850655
8-tetradecyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
CID 21292499
4-hexyl-2-hydroxy-4H-isoquinoline-1,3-dione
CID 51041923
4-(9H-fluoren-9-yl)butan-1-ol
CID 10060129
4-hexyl-3,4-dihydro-2H-naphthalene-1-selone
CID 141438474
3-octyl-3H-2-benzothiophen-1-one
CID 56970905
1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene
CID 71392483
1,3-didodecyl-1H-indene
CID 177256728
1-decyl-2-phenyl-1H-indene
CID 91542453

Frequently Asked Questions

What is the IUPAC name of 9-nonyl-9H-fluorene?
The IUPAC name of 9-nonyl-9H-fluorene (CID 22568532) is 9-nonyl-9H-fluorene.
What is the SMILES notation for 9-nonyl-9H-fluorene?
The canonical SMILES for 9-nonyl-9H-fluorene is CCCCCCCCCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-nonyl-9H-fluorene?
The InChIKey is PXNAGCPTYYVRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-2-3-4-5-6-7-8-13-18-19-14-9-11-16-21(19)22-17-12-10-15-20(18)22/h9-12,14-18H,2-8,13H2,1H3.
What are the key properties of 9-nonyl-9H-fluorene?
9-nonyl-9H-fluorene has a molecular weight of 292.47 g/mol, XLogP of 6.94, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-nonyl-9H-fluorene is sourced from PubChem (CID 22568532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).