9,9-diethyl-2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-3,6-diphenylfluorene

C59H44F6 — CID 59245613

IUPAC9,9-diethyl-2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-3,6-diphenylfluorene
SMILESCCC1(CC)c2cc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3ccccc3-4)c(-c3ccccc3)cc2-c2cc(-c3ccccc3)c(-c3ccc4c(c3)C(C)(C(F)(F)F)c3ccccc3-4)cc21
InChIInChI=1S/C59H44F6/c1-5-57(6-2)53-33-45(37-25-27-41-39-21-13-15-23-49(39)55(3,51(41)29-37)58(60,61)62)43(35-17-9-7-10-18-35)31-47(53)48-32-44(36-19-11-8-12-20-36)46(34-54(48)57)38-26-28-42-40-22-14-16-24-50(40)56(4,52(42)30-38)59(63,64)65/h7-34H,5-6H2,1-4H3
InChIKeyUWYPRCOAAAMMGF-UHFFFAOYSA-N
MW866.99 g/mol
LogP17.14
Rot. Bonds6

About 9,9-diethyl-2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-3,6-diphenylfluorene

9,9-diethyl-2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-3,6-diphenylfluorene (PubChem CID 59245613) has the molecular formula C59H44F6 and a molecular weight of 866.99 g/mol. Its IUPAC name is 9,9-diethyl-2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-3,6-diphenylfluorene.

Molecular Properties

Compound Name9,9-diethyl-2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-3,6-diphenylfluorene
PubChem CID59245613
Molecular FormulaC59H44F6
Molecular Weight866.99 g/mol
Exact Mass866.33
IUPAC Name9,9-diethyl-2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-3,6-diphenylfluorene
SMILESCCC1(CC)c2cc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3ccccc3-4)c(-c3ccccc3)cc2-c2cc(-c3ccccc3)c(-c3ccc4c(c3)C(C)(C(F)(F)F)c3ccccc3-4)cc21
InChIInChI=1S/C59H44F6/c1-5-57(6-2)53-33-45(37-25-27-41-39-21-13-15-23-49(39)55(3,51(41)29-37)58(60,61)62)43(35-17-9-7-10-18-35)31-47(53)48-32-44(36-19-11-8-12-20-36)46(34-54(48)57)38-26-28-42-40-22-14-16-24-50(40)56(4,52(42)30-38)59(63,64)65/h7-34H,5-6H2,1-4H3
InChIKeyUWYPRCOAAAMMGF-UHFFFAOYSA-N
XLogP17.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.99
LogP ≤ 517.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3,6,7-tetrakis[9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-diethylfluorene
CID 59245644
2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene
CID 59245648
bis(2,4,6-trimethylphenyl)-[4-[2,6,7-tris[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-bis(3-methylbutyl)fluoren-3-yl]phenyl]borane;9,9-diethyl-2,3,6,7-tetrakis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]fluorene;4-[9,9-diethyl-2,6,7-tris[4-(N-phenylanilino)phenyl]fluoren-3-yl]-N,N-diphenylaniline;2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene
CID 159220456
2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene
CID 59782418
2,9-dimethyl-7-[9-methyl-7-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene
CID 59512862
2-(9,9-dimethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluorene
CID 59005083
2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene
CID 59512956
2-(9,9-diethylfluoren-2-yl)-4,6-diphenylpyridine
CID 102582737
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
9,9-diethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 121321489
2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939612
9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene
CID 20822281

Frequently Asked Questions

What is the IUPAC name of 9,9-diethyl-2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-3,6-diphenylfluorene?
The IUPAC name of 9,9-diethyl-2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-3,6-diphenylfluorene (CID 59245613) is 9,9-diethyl-2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-3,6-diphenylfluorene.
What is the SMILES notation for 9,9-diethyl-2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-3,6-diphenylfluorene?
The canonical SMILES for 9,9-diethyl-2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-3,6-diphenylfluorene is CCC1(CC)c2cc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3ccccc3-4)c(-c3ccccc3)cc2-c2cc(-c3ccccc3)c(-c3ccc4c(c3)C(C)(C(F)(F)F)c3ccccc3-4)cc21.
What is the InChIKey of 9,9-diethyl-2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-3,6-diphenylfluorene?
The InChIKey is UWYPRCOAAAMMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44F6/c1-5-57(6-2)53-33-45(37-25-27-41-39-21-13-15-23-49(39)55(3,51(41)29-37)58(60,61)62)43(35-17-9-7-10-18-35)31-47(53)48-32-44(36-19-11-8-12-20-36)46(34-54(48)57)38-26-28-42-40-22-14-16-24-50(40)56(4,52(42)30-38)59(63,64)65/h7-34H,5-6H2,1-4H3.
What are the key properties of 9,9-diethyl-2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-3,6-diphenylfluorene?
9,9-diethyl-2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-3,6-diphenylfluorene has a molecular weight of 866.99 g/mol, XLogP of 17.14, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diethyl-2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-3,6-diphenylfluorene is sourced from PubChem (CID 59245613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).