2-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene

C38H42 — CID 19994282

IUPAC2-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
SMILESCCCC1(CCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3ccccc3-4)cc21
InChIInChI=1S/C38H42/c1-5-21-37(22-6-2)33-15-11-9-13-29(33)31-19-17-27(25-35(31)37)28-18-20-32-30-14-10-12-16-34(30)38(23-7-3,24-8-4)36(32)26-28/h9-20,25-26H,5-8,21-24H2,1-4H3
InChIKeyFREAUXSCEZHNLN-UHFFFAOYSA-N
MW498.75 g/mol
LogP11.09
Rot. Bonds9

About 2-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene

2-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene (PubChem CID 19994282) has the molecular formula C38H42 and a molecular weight of 498.75 g/mol. Its IUPAC name is 2-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene.

Molecular Properties

Compound Name2-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
PubChem CID19994282
Molecular FormulaC38H42
Molecular Weight498.75 g/mol
Exact Mass498.33
IUPAC Name2-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
SMILESCCCC1(CCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3ccccc3-4)cc21
InChIInChI=1S/C38H42/c1-5-21-37(22-6-2)33-15-11-9-13-29(33)31-19-17-27(25-35(31)37)28-18-20-32-30-14-10-12-16-34(30)38(23-7-3,24-8-4)36(32)26-28/h9-20,25-26H,5-8,21-24H2,1-4H3
InChIKeyFREAUXSCEZHNLN-UHFFFAOYSA-N
XLogP11.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.75
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene?
The IUPAC name of 2-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene (CID 19994282) is 2-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene.
What is the SMILES notation for 2-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene?
The canonical SMILES for 2-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene is CCCC1(CCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3ccccc3-4)cc21.
What is the InChIKey of 2-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene?
The InChIKey is FREAUXSCEZHNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42/c1-5-21-37(22-6-2)33-15-11-9-13-29(33)31-19-17-27(25-35(31)37)28-18-20-32-30-14-10-12-16-34(30)38(23-7-3,24-8-4)36(32)26-28/h9-20,25-26H,5-8,21-24H2,1-4H3.
What are the key properties of 2-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene?
2-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene has a molecular weight of 498.75 g/mol, XLogP of 11.09, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene is sourced from PubChem (CID 19994282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).