2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one

C55H56O — CID 102430700

IUPAC2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one
SMILESCCCCC1(CCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(=O)c3cc(-c5ccc6c(c5)C(CCCC)(CCCC)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C55H56O/c1-5-9-29-54(30-10-6-2)49-19-15-13-17-43(49)45-27-23-39(35-51(45)54)37-21-25-41-42-26-22-38(34-48(42)53(56)47(41)33-37)40-24-28-46-44-18-14-16-20-50(44)55(31-11-7-3,32-12-8-4)52(46)36-40/h13-28,33-36H,5-12,29-32H2,1-4H3
InChIKeyHBFBMMVWYNXEIF-UHFFFAOYSA-N
MW733.05 g/mol
LogP15.53
Rot. Bonds14

About 2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one

2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one (PubChem CID 102430700) has the molecular formula C55H56O and a molecular weight of 733.05 g/mol. Its IUPAC name is 2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one.

Molecular Properties

Compound Name2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one
PubChem CID102430700
Molecular FormulaC55H56O
Molecular Weight733.05 g/mol
Exact Mass732.43
IUPAC Name2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one
SMILESCCCCC1(CCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(=O)c3cc(-c5ccc6c(c5)C(CCCC)(CCCC)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C55H56O/c1-5-9-29-54(30-10-6-2)49-19-15-13-17-43(49)45-27-23-39(35-51(45)54)37-21-25-41-42-26-22-38(34-48(42)53(56)47(41)33-37)40-24-28-46-44-18-14-16-20-50(44)55(31-11-7-3,32-12-8-4)52(46)36-40/h13-28,33-36H,5-12,29-32H2,1-4H3
InChIKeyHBFBMMVWYNXEIF-UHFFFAOYSA-N
XLogP15.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.05
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one with MolForge

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Related Compounds

10,10-dibutylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,21-dione
CID 102139289
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
CID 102433647
4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol
CID 102433649
9,9-dioctylfluorene;ethane;fluoren-9-one;methane
CID 158051918
2,7-bis(9,9-dihexylfluoren-2-yl)-N-phenylfluoren-9-imine
CID 102042336
2-phenyl-9,9-dipropylfluorene
CID 154114384
3-[2-(9,9-dioctylfluoren-2-yl)-9-[3-(trimethylazaniumyl)propyl]fluoren-9-yl]propyl-trimethylazanium
CID 102467018
1-[4-(9,9-dihexylfluoren-2-yl)phenyl]ethanone
CID 142722854

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one?
The IUPAC name of 2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one (CID 102430700) is 2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one.
What is the SMILES notation for 2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one?
The canonical SMILES for 2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one is CCCCC1(CCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(=O)c3cc(-c5ccc6c(c5)C(CCCC)(CCCC)c5ccccc5-6)ccc3-4)cc21.
What is the InChIKey of 2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one?
The InChIKey is HBFBMMVWYNXEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H56O/c1-5-9-29-54(30-10-6-2)49-19-15-13-17-43(49)45-27-23-39(35-51(45)54)37-21-25-41-42-26-22-38(34-48(42)53(56)47(41)33-37)40-24-28-46-44-18-14-16-20-50(44)55(31-11-7-3,32-12-8-4)52(46)36-40/h13-28,33-36H,5-12,29-32H2,1-4H3.
What are the key properties of 2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one?
2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one has a molecular weight of 733.05 g/mol, XLogP of 15.53, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one is sourced from PubChem (CID 102430700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).