1,2-didodecyl-9H-fluorene

C37H58 — CID 23440466

IUPAC1,2-didodecyl-9H-fluorene
SMILESCCCCCCCCCCCCc1ccc2c(c1CCCCCCCCCCCC)Cc1ccccc1-2
InChIInChI=1S/C37H58/c1-3-5-7-9-11-13-15-17-19-21-25-32-29-30-36-35-28-24-23-26-33(35)31-37(36)34(32)27-22-20-18-16-14-12-10-8-6-4-2/h23-24,26,28-30H,3-22,25,27,31H2,1-2H3
InChIKeyXOJPVYWHIPKQJN-UHFFFAOYSA-N
MW502.87 g/mol
LogP12.18
Rot. Bonds22

About 1,2-didodecyl-9H-fluorene

1,2-didodecyl-9H-fluorene (PubChem CID 23440466) has the molecular formula C37H58 and a molecular weight of 502.87 g/mol. Its IUPAC name is 1,2-didodecyl-9H-fluorene.

Molecular Properties

Compound Name1,2-didodecyl-9H-fluorene
PubChem CID23440466
Molecular FormulaC37H58
Molecular Weight502.87 g/mol
Exact Mass502.45
IUPAC Name1,2-didodecyl-9H-fluorene
SMILESCCCCCCCCCCCCc1ccc2c(c1CCCCCCCCCCCC)Cc1ccccc1-2
InChIInChI=1S/C37H58/c1-3-5-7-9-11-13-15-17-19-21-25-32-29-30-36-35-28-24-23-26-33(35)31-37(36)34(32)27-22-20-18-16-14-12-10-8-6-4-2/h23-24,26,28-30H,3-22,25,27,31H2,1-2H3
InChIKeyXOJPVYWHIPKQJN-UHFFFAOYSA-N
XLogP12.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.87
LogP ≤ 512.18
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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Frequently Asked Questions

What is the IUPAC name of 1,2-didodecyl-9H-fluorene?
The IUPAC name of 1,2-didodecyl-9H-fluorene (CID 23440466) is 1,2-didodecyl-9H-fluorene.
What is the SMILES notation for 1,2-didodecyl-9H-fluorene?
The canonical SMILES for 1,2-didodecyl-9H-fluorene is CCCCCCCCCCCCc1ccc2c(c1CCCCCCCCCCCC)Cc1ccccc1-2.
What is the InChIKey of 1,2-didodecyl-9H-fluorene?
The InChIKey is XOJPVYWHIPKQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H58/c1-3-5-7-9-11-13-15-17-19-21-25-32-29-30-36-35-28-24-23-26-33(35)31-37(36)34(32)27-22-20-18-16-14-12-10-8-6-4-2/h23-24,26,28-30H,3-22,25,27,31H2,1-2H3.
What are the key properties of 1,2-didodecyl-9H-fluorene?
1,2-didodecyl-9H-fluorene has a molecular weight of 502.87 g/mol, XLogP of 12.18, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-didodecyl-9H-fluorene is sourced from PubChem (CID 23440466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).