1,2-dioctyl-9H-fluorene;thiophene

C33H46S — CID 174653713

IUPAC1,2-dioctyl-9H-fluorene;thiophene
SMILESCCCCCCCCc1ccc2c(c1CCCCCCCC)Cc1ccccc1-2.c1ccsc1
InChIInChI=1S/C29H42.C4H4S/c1-3-5-7-9-11-13-17-24-21-22-28-27-20-16-15-18-25(27)23-29(28)26(24)19-14-12-10-8-6-4-2;1-2-4-5-3-1/h15-16,18,20-22H,3-14,17,19,23H2,1-2H3;1-4H
InChIKeyRYSGZTKRMLSYRD-UHFFFAOYSA-N
MW474.80 g/mol
LogP10.81
Rot. Bonds14

About 1,2-dioctyl-9H-fluorene;thiophene

1,2-dioctyl-9H-fluorene;thiophene (PubChem CID 174653713) has the molecular formula C33H46S and a molecular weight of 474.80 g/mol. Its IUPAC name is 1,2-dioctyl-9H-fluorene;thiophene.

Molecular Properties

Compound Name1,2-dioctyl-9H-fluorene;thiophene
PubChem CID174653713
Molecular FormulaC33H46S
Molecular Weight474.80 g/mol
Exact Mass474.33
IUPAC Name1,2-dioctyl-9H-fluorene;thiophene
SMILESCCCCCCCCc1ccc2c(c1CCCCCCCC)Cc1ccccc1-2.c1ccsc1
InChIInChI=1S/C29H42.C4H4S/c1-3-5-7-9-11-13-17-24-21-22-28-27-20-16-15-18-25(27)23-29(28)26(24)19-14-12-10-8-6-4-2;1-2-4-5-3-1/h15-16,18,20-22H,3-14,17,19,23H2,1-2H3;1-4H
InChIKeyRYSGZTKRMLSYRD-UHFFFAOYSA-N
XLogP10.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.80
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-dihexyl-9H-fluorene
CID 22141601
1-butyl-2-decyl-9H-fluorene
CID 151429799
1,2-bis(6-bromohexyl)-9H-fluorene
CID 172692386
1-hexyl-9H-fluoren-2-amine
CID 57359668
2-(9H-fluoren-1-yl)-3-heptyl-4-pentylphenol
CID 150413225
2-(9H-fluoren-1-yl)-3,4-dioctylphenol
CID 151912824
4-butyl-2-(9H-fluoren-1-yl)-3-octylphenol
CID 150998835
1-tert-butyl-2-decyl-9H-fluorene
CID 160798357
1,2-dihexylanthracene-9,10-dione;thiophene
CID 159808201
3,4-dioctyl-9H-fluorene
CID 173498709
1,2-dioctyl-3-phenyl-9H-fluorene
CID 140695586
(7,8-dioctyl-9H-fluoren-2-yl)boronic acid
CID 141103230

Frequently Asked Questions

What is the IUPAC name of 1,2-dioctyl-9H-fluorene;thiophene?
The IUPAC name of 1,2-dioctyl-9H-fluorene;thiophene (CID 174653713) is 1,2-dioctyl-9H-fluorene;thiophene.
What is the SMILES notation for 1,2-dioctyl-9H-fluorene;thiophene?
The canonical SMILES for 1,2-dioctyl-9H-fluorene;thiophene is CCCCCCCCc1ccc2c(c1CCCCCCCC)Cc1ccccc1-2.c1ccsc1.
What is the InChIKey of 1,2-dioctyl-9H-fluorene;thiophene?
The InChIKey is RYSGZTKRMLSYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42.C4H4S/c1-3-5-7-9-11-13-17-24-21-22-28-27-20-16-15-18-25(27)23-29(28)26(24)19-14-12-10-8-6-4-2;1-2-4-5-3-1/h15-16,18,20-22H,3-14,17,19,23H2,1-2H3;1-4H.
What are the key properties of 1,2-dioctyl-9H-fluorene;thiophene?
1,2-dioctyl-9H-fluorene;thiophene has a molecular weight of 474.80 g/mol, XLogP of 10.81, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dioctyl-9H-fluorene;thiophene is sourced from PubChem (CID 174653713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).