2-[9,9-diethyl-7-(2-methylbutan-2-yl)fluoren-2-yl]-9,9-diethyl-7-(2-methylbutan-2-yl)fluorene

C44H54 — CID 86186127

IUPAC2-[9,9-diethyl-7-(2-methylbutan-2-yl)fluoren-2-yl]-9,9-diethyl-7-(2-methylbutan-2-yl)fluorene
SMILESCCC(C)(C)c1ccc2c(c1)C(CC)(CC)c1cc(-c3ccc4c(c3)C(CC)(CC)c3cc(C(C)(C)CC)ccc3-4)ccc1-2
InChIInChI=1S/C44H54/c1-11-41(7,8)31-19-23-35-33-21-17-29(25-37(33)43(13-3,14-4)39(35)27-31)30-18-22-34-36-24-20-32(42(9,10)12-2)28-40(36)44(15-5,16-6)38(34)26-30/h17-28H,11-16H2,1-10H3
InChIKeyFRHGDHMDJVRQPL-UHFFFAOYSA-N
MW582.92 g/mol
LogP12.90
Rot. Bonds9

About 2-[9,9-diethyl-7-(2-methylbutan-2-yl)fluoren-2-yl]-9,9-diethyl-7-(2-methylbutan-2-yl)fluorene

2-[9,9-diethyl-7-(2-methylbutan-2-yl)fluoren-2-yl]-9,9-diethyl-7-(2-methylbutan-2-yl)fluorene (PubChem CID 86186127) has the molecular formula C44H54 and a molecular weight of 582.92 g/mol. Its IUPAC name is 2-[9,9-diethyl-7-(2-methylbutan-2-yl)fluoren-2-yl]-9,9-diethyl-7-(2-methylbutan-2-yl)fluorene.

Molecular Properties

Compound Name2-[9,9-diethyl-7-(2-methylbutan-2-yl)fluoren-2-yl]-9,9-diethyl-7-(2-methylbutan-2-yl)fluorene
PubChem CID86186127
Molecular FormulaC44H54
Molecular Weight582.92 g/mol
Exact Mass582.42
IUPAC Name2-[9,9-diethyl-7-(2-methylbutan-2-yl)fluoren-2-yl]-9,9-diethyl-7-(2-methylbutan-2-yl)fluorene
SMILESCCC(C)(C)c1ccc2c(c1)C(CC)(CC)c1cc(-c3ccc4c(c3)C(CC)(CC)c3cc(C(C)(C)CC)ccc3-4)ccc1-2
InChIInChI=1S/C44H54/c1-11-41(7,8)31-19-23-35-33-21-17-29(25-37(33)43(13-3,14-4)39(35)27-31)30-18-22-34-36-24-20-32(42(9,10)12-2)28-40(36)44(15-5,16-6)38(34)26-30/h17-28H,11-16H2,1-10H3
InChIKeyFRHGDHMDJVRQPL-UHFFFAOYSA-N
XLogP12.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.92
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[9,9-diethyl-7-(2-methylbutan-2-yl)fluoren-2-yl]-9,9-diethyl-7-(2-methylbutan-2-yl)fluorene?
The IUPAC name of 2-[9,9-diethyl-7-(2-methylbutan-2-yl)fluoren-2-yl]-9,9-diethyl-7-(2-methylbutan-2-yl)fluorene (CID 86186127) is 2-[9,9-diethyl-7-(2-methylbutan-2-yl)fluoren-2-yl]-9,9-diethyl-7-(2-methylbutan-2-yl)fluorene.
What is the SMILES notation for 2-[9,9-diethyl-7-(2-methylbutan-2-yl)fluoren-2-yl]-9,9-diethyl-7-(2-methylbutan-2-yl)fluorene?
The canonical SMILES for 2-[9,9-diethyl-7-(2-methylbutan-2-yl)fluoren-2-yl]-9,9-diethyl-7-(2-methylbutan-2-yl)fluorene is CCC(C)(C)c1ccc2c(c1)C(CC)(CC)c1cc(-c3ccc4c(c3)C(CC)(CC)c3cc(C(C)(C)CC)ccc3-4)ccc1-2.
What is the InChIKey of 2-[9,9-diethyl-7-(2-methylbutan-2-yl)fluoren-2-yl]-9,9-diethyl-7-(2-methylbutan-2-yl)fluorene?
The InChIKey is FRHGDHMDJVRQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H54/c1-11-41(7,8)31-19-23-35-33-21-17-29(25-37(33)43(13-3,14-4)39(35)27-31)30-18-22-34-36-24-20-32(42(9,10)12-2)28-40(36)44(15-5,16-6)38(34)26-30/h17-28H,11-16H2,1-10H3.
What are the key properties of 2-[9,9-diethyl-7-(2-methylbutan-2-yl)fluoren-2-yl]-9,9-diethyl-7-(2-methylbutan-2-yl)fluorene?
2-[9,9-diethyl-7-(2-methylbutan-2-yl)fluoren-2-yl]-9,9-diethyl-7-(2-methylbutan-2-yl)fluorene has a molecular weight of 582.92 g/mol, XLogP of 12.90, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-diethyl-7-(2-methylbutan-2-yl)fluoren-2-yl]-9,9-diethyl-7-(2-methylbutan-2-yl)fluorene is sourced from PubChem (CID 86186127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).