9-heptadecan-9-yl-2,7-dimethyl-9H-fluorene

C32H48 — CID 158260955

IUPAC9-heptadecan-9-yl-2,7-dimethyl-9H-fluorene
SMILESCCCCCCCCC(CCCCCCCC)C1c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C32H48/c1-5-7-9-11-13-15-17-27(18-16-14-12-10-8-6-2)32-30-23-25(3)19-21-28(30)29-22-20-26(4)24-31(29)32/h19-24,27,32H,5-18H2,1-4H3
InChIKeyFIYJXYXWJSHQNG-UHFFFAOYSA-N
MW432.74 g/mol
LogP10.53
Rot. Bonds15

About 9-heptadecan-9-yl-2,7-dimethyl-9H-fluorene

9-heptadecan-9-yl-2,7-dimethyl-9H-fluorene (PubChem CID 158260955) has the molecular formula C32H48 and a molecular weight of 432.74 g/mol. Its IUPAC name is 9-heptadecan-9-yl-2,7-dimethyl-9H-fluorene.

Molecular Properties

Compound Name9-heptadecan-9-yl-2,7-dimethyl-9H-fluorene
PubChem CID158260955
Molecular FormulaC32H48
Molecular Weight432.74 g/mol
Exact Mass432.38
IUPAC Name9-heptadecan-9-yl-2,7-dimethyl-9H-fluorene
SMILESCCCCCCCCC(CCCCCCCC)C1c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C32H48/c1-5-7-9-11-13-15-17-27(18-16-14-12-10-8-6-2)32-30-23-25(3)19-21-28(30)29-22-20-26(4)24-31(29)32/h19-24,27,32H,5-18H2,1-4H3
InChIKeyFIYJXYXWJSHQNG-UHFFFAOYSA-N
XLogP10.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.74
LogP ≤ 510.53
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

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2,4-dimethyl-1-undecan-5-ylbenzene
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octane;octan-2-ol;bis(1,4-xylene)
CID 161441445
ethane;9-ethyl-2,7-dimethyl-9H-fluorene;methane
CID 145053963
2-[(1R)-1-hydroxyundecyl]-4-methylphenol
CID 98151788
3-heptan-2-yl-5-methyl-2,3-dihydro-1H-indole
CID 106820137
2-fluoro-4-methyl-N-octan-2-ylaniline
CID 43130115
1-(2-fluoro-5-methylphenyl)undecan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 9-heptadecan-9-yl-2,7-dimethyl-9H-fluorene?
The IUPAC name of 9-heptadecan-9-yl-2,7-dimethyl-9H-fluorene (CID 158260955) is 9-heptadecan-9-yl-2,7-dimethyl-9H-fluorene.
What is the SMILES notation for 9-heptadecan-9-yl-2,7-dimethyl-9H-fluorene?
The canonical SMILES for 9-heptadecan-9-yl-2,7-dimethyl-9H-fluorene is CCCCCCCCC(CCCCCCCC)C1c2cc(C)ccc2-c2ccc(C)cc21.
What is the InChIKey of 9-heptadecan-9-yl-2,7-dimethyl-9H-fluorene?
The InChIKey is FIYJXYXWJSHQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48/c1-5-7-9-11-13-15-17-27(18-16-14-12-10-8-6-2)32-30-23-25(3)19-21-28(30)29-22-20-26(4)24-31(29)32/h19-24,27,32H,5-18H2,1-4H3.
What are the key properties of 9-heptadecan-9-yl-2,7-dimethyl-9H-fluorene?
9-heptadecan-9-yl-2,7-dimethyl-9H-fluorene has a molecular weight of 432.74 g/mol, XLogP of 10.53, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-heptadecan-9-yl-2,7-dimethyl-9H-fluorene is sourced from PubChem (CID 158260955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).