[4-dimethylalumanyloxy-3,5-bis(trimethylsilyl)phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide

C32H26AlBF15OSi2- — CID 87162707

IUPAC[4-dimethylalumanyloxy-3,5-bis(trimethylsilyl)phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESC[Al](C)Oc1c([Si](C)(C)C)cc([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)cc1[Si](C)(C)C
InChIInChI=1S/C30H21BF15OSi2.2CH3.Al/c1-48(2,3)10-7-9(8-11(30(10)47)49(4,5)6)31(12-15(32)21(38)27(44)22(39)16(12)33,13-17(34)23(40)28(45)24(41)18(13)35)14-19(36)25(42)29(46)26(43)20(14)37;;;/h7-8,47H,1-6H3;2*1H3;/q-1;;;+1/p-1
InChIKeyHSWCBSBLGIKUOL-UHFFFAOYSA-M
MW805.49 g/mol
LogP6.87
Rot. Bonds8

About [4-dimethylalumanyloxy-3,5-bis(trimethylsilyl)phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide

[4-dimethylalumanyloxy-3,5-bis(trimethylsilyl)phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 87162707) has the molecular formula C32H26AlBF15OSi2- and a molecular weight of 805.49 g/mol. Its IUPAC name is [4-dimethylalumanyloxy-3,5-bis(trimethylsilyl)phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Name[4-dimethylalumanyloxy-3,5-bis(trimethylsilyl)phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID87162707
Molecular FormulaC32H26AlBF15OSi2-
Molecular Weight805.49 g/mol
Exact Mass805.12
IUPAC Name[4-dimethylalumanyloxy-3,5-bis(trimethylsilyl)phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESC[Al](C)Oc1c([Si](C)(C)C)cc([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)cc1[Si](C)(C)C
InChIInChI=1S/C30H21BF15OSi2.2CH3.Al/c1-48(2,3)10-7-9(8-11(30(10)47)49(4,5)6)31(12-15(32)21(38)27(44)22(39)16(12)33,13-17(34)23(40)28(45)24(41)18(13)35)14-19(36)25(42)29(46)26(43)20(14)37;;;/h7-8,47H,1-6H3;2*1H3;/q-1;;;+1/p-1
InChIKeyHSWCBSBLGIKUOL-UHFFFAOYSA-M
XLogP6.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.49
LogP ≤ 56.87
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'}

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Frequently Asked Questions

What is the IUPAC name of [4-dimethylalumanyloxy-3,5-bis(trimethylsilyl)phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of [4-dimethylalumanyloxy-3,5-bis(trimethylsilyl)phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide (CID 87162707) is [4-dimethylalumanyloxy-3,5-bis(trimethylsilyl)phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for [4-dimethylalumanyloxy-3,5-bis(trimethylsilyl)phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for [4-dimethylalumanyloxy-3,5-bis(trimethylsilyl)phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide is C[Al](C)Oc1c([Si](C)(C)C)cc([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)cc1[Si](C)(C)C.
What is the InChIKey of [4-dimethylalumanyloxy-3,5-bis(trimethylsilyl)phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is HSWCBSBLGIKUOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H21BF15OSi2.2CH3.Al/c1-48(2,3)10-7-9(8-11(30(10)47)49(4,5)6)31(12-15(32)21(38)27(44)22(39)16(12)33,13-17(34)23(40)28(45)24(41)18(13)35)14-19(36)25(42)29(46)26(43)20(14)37;;;/h7-8,47H,1-6H3;2*1H3;/q-1;;;+1/p-1.
What are the key properties of [4-dimethylalumanyloxy-3,5-bis(trimethylsilyl)phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
[4-dimethylalumanyloxy-3,5-bis(trimethylsilyl)phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 805.49 g/mol, XLogP of 6.87, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-dimethylalumanyloxy-3,5-bis(trimethylsilyl)phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 87162707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).