(2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)-(4,5,7-trifluoronaphthalen-1-yl)-(2,3,5-trifluorophenyl)alumane

C32H6AlF15 — CID 141042568

IUPAC(2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)-(4,5,7-trifluoronaphthalen-1-yl)-(2,3,5-trifluorophenyl)alumane
SMILESFc1cc(F)c(F)c([Al](c2ccc(F)c3c(F)cc(F)cc23)c2c(F)c(F)c3c(F)c(F)c4c(F)c(F)c(F)c5c(F)c(F)c2c3c45)c1
InChIInChI=1S/C16F9.C10H4F3.C6H2F3.Al/c17-3-1-2-4-5-7(11(20)9(2)18)14(23)16(25)15(24)8(5)13(22)12(21)6(4)10(3)19;11-7-4-6-2-1-3-8(12)10(6)9(13)5-7;7-4-1-2-5(8)6(9)3-4;/h;1,3-5H;1,3H;
InChIKeyJADKMPIWRUVNIH-UHFFFAOYSA-N
MW702.35 g/mol
LogP8.34
Rot. Bonds3

About (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)-(4,5,7-trifluoronaphthalen-1-yl)-(2,3,5-trifluorophenyl)alumane

(2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)-(4,5,7-trifluoronaphthalen-1-yl)-(2,3,5-trifluorophenyl)alumane (PubChem CID 141042568) has the molecular formula C32H6AlF15 and a molecular weight of 702.35 g/mol. Its IUPAC name is (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)-(4,5,7-trifluoronaphthalen-1-yl)-(2,3,5-trifluorophenyl)alumane.

Molecular Properties

Compound Name(2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)-(4,5,7-trifluoronaphthalen-1-yl)-(2,3,5-trifluorophenyl)alumane
PubChem CID141042568
Molecular FormulaC32H6AlF15
Molecular Weight702.35 g/mol
Exact Mass702.00
IUPAC Name(2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)-(4,5,7-trifluoronaphthalen-1-yl)-(2,3,5-trifluorophenyl)alumane
SMILESFc1cc(F)c(F)c([Al](c2ccc(F)c3c(F)cc(F)cc23)c2c(F)c(F)c3c(F)c(F)c4c(F)c(F)c(F)c5c(F)c(F)c2c3c45)c1
InChIInChI=1S/C16F9.C10H4F3.C6H2F3.Al/c17-3-1-2-4-5-7(11(20)9(2)18)14(23)16(25)15(24)8(5)13(22)12(21)6(4)10(3)19;11-7-4-6-2-1-3-8(12)10(6)9(13)5-7;7-4-1-2-5(8)6(9)3-4;/h;1,3-5H;1,3H;
InChIKeyJADKMPIWRUVNIH-UHFFFAOYSA-N
XLogP8.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.35
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(2,4,6-trifluoro-3-methylphenyl)-bis(2,3,5-trifluorophenyl)alumane
CID 177045721
triethylsilyl-(4,5,7-trifluoronaphthalen-1-yl)phosphane
CID 141042296
bis(3,5-difluoro-2-methylphenyl)-(2,3,5-trifluoro-6-methoxyphenyl)alumane
CID 177045586
6,8-difluoro-4-[2-(methylamino)ethyl]-2H-isoquinolin-1-one
CID 174224835
(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5,6-pentafluoropyren-1-yl)oxy-(4,5,7-trifluoronaphthalen-1-yl)oxyborane
CID 141042633
(5,6,7,8-tetrafluoronaphthalen-1-yl) (4,5,7-trifluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate
CID 139978246
(2,3,4,5,6-pentafluorophenoxy)-(2,3,4,5,6-pentafluoropyren-1-yl)oxy-(2,3,5-trifluorophenyl)borane
CID 141042565
3,8-difluoronaphthalene-1,5-diamine
CID 18457203
(2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)oxy-(2,3,4,5,6-pentafluorophenyl)-(2,3,5-trifluorophenoxy)borane
CID 141045146
1,2,3,4,6-pentafluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene
CID 88877500
(2,3,4,6-tetrafluoro-5-methoxyphenyl)-bis(3,4,6-trifluoro-2-methylphenyl)alumane
CID 177045792
1,4-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
CID 87457826

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)-(4,5,7-trifluoronaphthalen-1-yl)-(2,3,5-trifluorophenyl)alumane?
The IUPAC name of (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)-(4,5,7-trifluoronaphthalen-1-yl)-(2,3,5-trifluorophenyl)alumane (CID 141042568) is (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)-(4,5,7-trifluoronaphthalen-1-yl)-(2,3,5-trifluorophenyl)alumane.
What is the SMILES notation for (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)-(4,5,7-trifluoronaphthalen-1-yl)-(2,3,5-trifluorophenyl)alumane?
The canonical SMILES for (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)-(4,5,7-trifluoronaphthalen-1-yl)-(2,3,5-trifluorophenyl)alumane is Fc1cc(F)c(F)c([Al](c2ccc(F)c3c(F)cc(F)cc23)c2c(F)c(F)c3c(F)c(F)c4c(F)c(F)c(F)c5c(F)c(F)c2c3c45)c1.
What is the InChIKey of (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)-(4,5,7-trifluoronaphthalen-1-yl)-(2,3,5-trifluorophenyl)alumane?
The InChIKey is JADKMPIWRUVNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16F9.C10H4F3.C6H2F3.Al/c17-3-1-2-4-5-7(11(20)9(2)18)14(23)16(25)15(24)8(5)13(22)12(21)6(4)10(3)19;11-7-4-6-2-1-3-8(12)10(6)9(13)5-7;7-4-1-2-5(8)6(9)3-4;/h;1,3-5H;1,3H;.
What are the key properties of (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)-(4,5,7-trifluoronaphthalen-1-yl)-(2,3,5-trifluorophenyl)alumane?
(2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)-(4,5,7-trifluoronaphthalen-1-yl)-(2,3,5-trifluorophenyl)alumane has a molecular weight of 702.35 g/mol, XLogP of 8.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)-(4,5,7-trifluoronaphthalen-1-yl)-(2,3,5-trifluorophenyl)alumane is sourced from PubChem (CID 141042568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).