2,3,6,7-tetrakis[9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-diethylfluorene

C77H42F24 — CID 59245644

IUPAC2,3,6,7-tetrakis[9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-diethylfluorene
SMILESCCC1(CC)c2cc(-c3ccc4c(c3)C(C(F)(F)F)(C(F)(F)F)c3ccccc3-4)c(-c3ccc4c(c3)C(C(F)(F)F)(C(F)(F)F)c3ccccc3-4)cc2-c2cc(-c3ccc4c(c3)C(C(F)(F)F)(C(F)(F)F)c3ccccc3-4)c(-c3ccc4c(c3)C(C(F)(F)F)(C(F)(F)F)c3ccccc3-4)cc21
InChIInChI=1S/C77H42F24/c1-3-65(4-2)59-35-51(39-23-27-47-43-15-7-11-19-57(43)68(63(47)31-39,74(90,91)92)75(93,94)95)49(37-21-25-45-41-13-5-9-17-55(41)66(61(45)29-37,70(78,79)80)71(81,82)83)33-53(59)54-34-50(38-22-26-46-42-14-6-10-18-56(42)67(62(46)30-38,72(84,85)86)73(87,88)89)52(36-60(54)65)40-24-28-48-44-16-8-12-20-58(44)69(64(48)32-40,76(96,97)98)77(99,100)101/h5-36H,3-4H2,1-2H3
InChIKeyKRMGJUPVTZVEIA-UHFFFAOYSA-N
MW1423.13 g/mol
LogP25.01
Rot. Bonds6

About 2,3,6,7-tetrakis[9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-diethylfluorene

2,3,6,7-tetrakis[9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-diethylfluorene (PubChem CID 59245644) has the molecular formula C77H42F24 and a molecular weight of 1423.13 g/mol. Its IUPAC name is 2,3,6,7-tetrakis[9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-diethylfluorene.

Molecular Properties

Compound Name2,3,6,7-tetrakis[9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-diethylfluorene
PubChem CID59245644
Molecular FormulaC77H42F24
Molecular Weight1423.13 g/mol
Exact Mass1422.29
IUPAC Name2,3,6,7-tetrakis[9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-diethylfluorene
SMILESCCC1(CC)c2cc(-c3ccc4c(c3)C(C(F)(F)F)(C(F)(F)F)c3ccccc3-4)c(-c3ccc4c(c3)C(C(F)(F)F)(C(F)(F)F)c3ccccc3-4)cc2-c2cc(-c3ccc4c(c3)C(C(F)(F)F)(C(F)(F)F)c3ccccc3-4)c(-c3ccc4c(c3)C(C(F)(F)F)(C(F)(F)F)c3ccccc3-4)cc21
InChIInChI=1S/C77H42F24/c1-3-65(4-2)59-35-51(39-23-27-47-43-15-7-11-19-57(43)68(63(47)31-39,74(90,91)92)75(93,94)95)49(37-21-25-45-41-13-5-9-17-55(41)66(61(45)29-37,70(78,79)80)71(81,82)83)33-53(59)54-34-50(38-22-26-46-42-14-6-10-18-56(42)67(62(46)30-38,72(84,85)86)73(87,88)89)52(36-60(54)65)40-24-28-48-44-16-8-12-20-58(44)69(64(48)32-40,76(96,97)98)77(99,100)101/h5-36H,3-4H2,1-2H3
InChIKeyKRMGJUPVTZVEIA-UHFFFAOYSA-N
XLogP25.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001423.13
LogP ≤ 525.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-diethyl-2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-3,6-diphenylfluorene
CID 59245613
2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene
CID 59782418
2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-7-methyl-9,9-bis(trifluoromethyl)fluorene
CID 59512925
2,7-bis[7-(9,9-diethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 160707659
2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939612
2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene
CID 59245648
9,9-diethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 121321489
6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene
CID 102150204
2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-6,12-bis(9,9-dimethylfluoren-2-yl)chrysene
CID 88882577
2-(9,9-diethylfluoren-2-yl)-4,6-diphenylpyridine
CID 102582737
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene
CID 58880878

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrakis[9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-diethylfluorene?
The IUPAC name of 2,3,6,7-tetrakis[9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-diethylfluorene (CID 59245644) is 2,3,6,7-tetrakis[9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-diethylfluorene.
What is the SMILES notation for 2,3,6,7-tetrakis[9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-diethylfluorene?
The canonical SMILES for 2,3,6,7-tetrakis[9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-diethylfluorene is CCC1(CC)c2cc(-c3ccc4c(c3)C(C(F)(F)F)(C(F)(F)F)c3ccccc3-4)c(-c3ccc4c(c3)C(C(F)(F)F)(C(F)(F)F)c3ccccc3-4)cc2-c2cc(-c3ccc4c(c3)C(C(F)(F)F)(C(F)(F)F)c3ccccc3-4)c(-c3ccc4c(c3)C(C(F)(F)F)(C(F)(F)F)c3ccccc3-4)cc21.
What is the InChIKey of 2,3,6,7-tetrakis[9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-diethylfluorene?
The InChIKey is KRMGJUPVTZVEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H42F24/c1-3-65(4-2)59-35-51(39-23-27-47-43-15-7-11-19-57(43)68(63(47)31-39,74(90,91)92)75(93,94)95)49(37-21-25-45-41-13-5-9-17-55(41)66(61(45)29-37,70(78,79)80)71(81,82)83)33-53(59)54-34-50(38-22-26-46-42-14-6-10-18-56(42)67(62(46)30-38,72(84,85)86)73(87,88)89)52(36-60(54)65)40-24-28-48-44-16-8-12-20-58(44)69(64(48)32-40,76(96,97)98)77(99,100)101/h5-36H,3-4H2,1-2H3.
What are the key properties of 2,3,6,7-tetrakis[9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-diethylfluorene?
2,3,6,7-tetrakis[9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-diethylfluorene has a molecular weight of 1423.13 g/mol, XLogP of 25.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrakis[9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-diethylfluorene is sourced from PubChem (CID 59245644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).