9-[6-(9H-fluoren-9-yl)decan-5-yl]-9H-fluorene

C36H38 — CID 19706030

IUPAC9-[6-(9H-fluoren-9-yl)decan-5-yl]-9H-fluorene
SMILESCCCCC(C1c2ccccc2-c2ccccc21)C(CCCC)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C36H38/c1-3-5-15-33(35-29-21-11-7-17-25(29)26-18-8-12-22-30(26)35)34(16-6-4-2)36-31-23-13-9-19-27(31)28-20-10-14-24-32(28)36/h7-14,17-24,33-36H,3-6,15-16H2,1-2H3
InChIKeyYONWDXZMTACZFT-UHFFFAOYSA-N
MW470.70 g/mol
LogP10.22
Rot. Bonds9

About 9-[6-(9H-fluoren-9-yl)decan-5-yl]-9H-fluorene

9-[6-(9H-fluoren-9-yl)decan-5-yl]-9H-fluorene (PubChem CID 19706030) has the molecular formula C36H38 and a molecular weight of 470.70 g/mol. Its IUPAC name is 9-[6-(9H-fluoren-9-yl)decan-5-yl]-9H-fluorene.

Molecular Properties

Compound Name9-[6-(9H-fluoren-9-yl)decan-5-yl]-9H-fluorene
PubChem CID19706030
Molecular FormulaC36H38
Molecular Weight470.70 g/mol
Exact Mass470.30
IUPAC Name9-[6-(9H-fluoren-9-yl)decan-5-yl]-9H-fluorene
SMILESCCCCC(C1c2ccccc2-c2ccccc21)C(CCCC)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C36H38/c1-3-5-15-33(35-29-21-11-7-17-25(29)26-18-8-12-22-30(26)35)34(16-6-4-2)36-31-23-13-9-19-27(31)28-20-10-14-24-32(28)36/h7-14,17-24,33-36H,3-6,15-16H2,1-2H3
InChIKeyYONWDXZMTACZFT-UHFFFAOYSA-N
XLogP10.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.70
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-[6-(9H-fluoren-9-yl)decan-5-yl]-9H-fluorene?
The IUPAC name of 9-[6-(9H-fluoren-9-yl)decan-5-yl]-9H-fluorene (CID 19706030) is 9-[6-(9H-fluoren-9-yl)decan-5-yl]-9H-fluorene.
What is the SMILES notation for 9-[6-(9H-fluoren-9-yl)decan-5-yl]-9H-fluorene?
The canonical SMILES for 9-[6-(9H-fluoren-9-yl)decan-5-yl]-9H-fluorene is CCCCC(C1c2ccccc2-c2ccccc21)C(CCCC)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[6-(9H-fluoren-9-yl)decan-5-yl]-9H-fluorene?
The InChIKey is YONWDXZMTACZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38/c1-3-5-15-33(35-29-21-11-7-17-25(29)26-18-8-12-22-30(26)35)34(16-6-4-2)36-31-23-13-9-19-27(31)28-20-10-14-24-32(28)36/h7-14,17-24,33-36H,3-6,15-16H2,1-2H3.
What are the key properties of 9-[6-(9H-fluoren-9-yl)decan-5-yl]-9H-fluorene?
9-[6-(9H-fluoren-9-yl)decan-5-yl]-9H-fluorene has a molecular weight of 470.70 g/mol, XLogP of 10.22, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(9H-fluoren-9-yl)decan-5-yl]-9H-fluorene is sourced from PubChem (CID 19706030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).