1,3,4,5,6,7,8,9,9-nonafluoro-N-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-trimethylsilylfluoren-2-amine

C28H9F18NSi — CID 141042297

IUPAC1,3,4,5,6,7,8,9,9-nonafluoro-N-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-trimethylsilylfluoren-2-amine
SMILESC[Si](C)(C)N(c1c(F)c(F)c2c(c1F)C(F)(F)c1c(F)c(F)c(F)c(F)c1-2)c1c(F)c(F)c(F)c(F)c1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C28H9F18NSi/c1-48(2,3)47(26-7(14(33)20(39)23(42)25(26)44)6-12(31)18(37)22(41)19(38)13(6)32)27-16(35)9-5(11(30)24(27)43)4-8(28(9,45)46)15(34)21(40)17(36)10(4)29/h1-3H3
InChIKeyROBJOKYKHKCLDA-UHFFFAOYSA-N
MW729.44 g/mol
LogP10.67
Rot. Bonds4

About 1,3,4,5,6,7,8,9,9-nonafluoro-N-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-trimethylsilylfluoren-2-amine

1,3,4,5,6,7,8,9,9-nonafluoro-N-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-trimethylsilylfluoren-2-amine (PubChem CID 141042297) has the molecular formula C28H9F18NSi and a molecular weight of 729.44 g/mol. Its IUPAC name is 1,3,4,5,6,7,8,9,9-nonafluoro-N-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-trimethylsilylfluoren-2-amine.

Molecular Properties

Compound Name1,3,4,5,6,7,8,9,9-nonafluoro-N-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-trimethylsilylfluoren-2-amine
PubChem CID141042297
Molecular FormulaC28H9F18NSi
Molecular Weight729.44 g/mol
Exact Mass729.02
IUPAC Name1,3,4,5,6,7,8,9,9-nonafluoro-N-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-trimethylsilylfluoren-2-amine
SMILESC[Si](C)(C)N(c1c(F)c(F)c2c(c1F)C(F)(F)c1c(F)c(F)c(F)c(F)c1-2)c1c(F)c(F)c(F)c(F)c1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C28H9F18NSi/c1-48(2,3)47(26-7(14(33)20(39)23(42)25(26)44)6-12(31)18(37)22(41)19(38)13(6)32)27-16(35)9-5(11(30)24(27)43)4-8(28(9,45)46)15(34)21(40)17(36)10(4)29/h1-3H3
InChIKeyROBJOKYKHKCLDA-UHFFFAOYSA-N
XLogP10.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.44
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1,3,4,5,6,7,8,9,9-nonafluoro-N-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-trimethylsilylfluoren-2-amine with MolForge

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Related Compounds

(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)boronic acid
CID 141039667
(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)oxyborane
CID 141052278
2,3,4,5-tetrafluoro-N-(fluoromethyl)-N-methyl-6-(2,3,4,5,6-pentafluorophenyl)aniline
CID 141039620
(1,2,3,4,5,6,7-heptafluoroinden-1-yl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane
CID 141052222
trimethyl-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane
CID 102286594
5,6,7,8,9,9-hexafluoro-2,4-bis(trifluoromethyl)indeno[2,1-d]pyrimidine
CID 23237267
2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene
CID 45090416
1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 22497144
1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 15490453
1,1,3,3,4,5,6,7-octafluoro-2-benzofuran
CID 14195971
1,2,3,4,5,6,7,9,10-nonafluoro-8-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrene
CID 151112358
CID 87822916
CID 87822916

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6,7,8,9,9-nonafluoro-N-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-trimethylsilylfluoren-2-amine?
The IUPAC name of 1,3,4,5,6,7,8,9,9-nonafluoro-N-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-trimethylsilylfluoren-2-amine (CID 141042297) is 1,3,4,5,6,7,8,9,9-nonafluoro-N-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-trimethylsilylfluoren-2-amine.
What is the SMILES notation for 1,3,4,5,6,7,8,9,9-nonafluoro-N-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-trimethylsilylfluoren-2-amine?
The canonical SMILES for 1,3,4,5,6,7,8,9,9-nonafluoro-N-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-trimethylsilylfluoren-2-amine is C[Si](C)(C)N(c1c(F)c(F)c2c(c1F)C(F)(F)c1c(F)c(F)c(F)c(F)c1-2)c1c(F)c(F)c(F)c(F)c1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,3,4,5,6,7,8,9,9-nonafluoro-N-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-trimethylsilylfluoren-2-amine?
The InChIKey is ROBJOKYKHKCLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H9F18NSi/c1-48(2,3)47(26-7(14(33)20(39)23(42)25(26)44)6-12(31)18(37)22(41)19(38)13(6)32)27-16(35)9-5(11(30)24(27)43)4-8(28(9,45)46)15(34)21(40)17(36)10(4)29/h1-3H3.
What are the key properties of 1,3,4,5,6,7,8,9,9-nonafluoro-N-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-trimethylsilylfluoren-2-amine?
1,3,4,5,6,7,8,9,9-nonafluoro-N-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-trimethylsilylfluoren-2-amine has a molecular weight of 729.44 g/mol, XLogP of 10.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6,7,8,9,9-nonafluoro-N-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-trimethylsilylfluoren-2-amine is sourced from PubChem (CID 141042297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).