benzhydrylbenzene hexatetrafluoroborate

C19H16B6F24-6 — CID 173334521

IUPACbenzhydrylbenzene hexatetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16.6BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6*2-1(3,4)5/h1-15,19H;;;;;;/q;6*-1
InChIKeyZOFMVPVYQQAYEZ-UHFFFAOYSA-N
MW765.16 g/mol
LogP12.67
Rot. Bonds3

About benzhydrylbenzene hexatetrafluoroborate

benzhydrylbenzene hexatetrafluoroborate (PubChem CID 173334521) has the molecular formula C19H16B6F24-6 and a molecular weight of 765.16 g/mol. Its IUPAC name is benzhydrylbenzene hexatetrafluoroborate.

Molecular Properties

Compound Namebenzhydrylbenzene hexatetrafluoroborate
PubChem CID173334521
Molecular FormulaC19H16B6F24-6
Molecular Weight765.16 g/mol
Exact Mass766.15
IUPAC Namebenzhydrylbenzene hexatetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16.6BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6*2-1(3,4)5/h1-15,19H;;;;;;/q;6*-1
InChIKeyZOFMVPVYQQAYEZ-UHFFFAOYSA-N
XLogP12.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.16
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647
benzhydrylbenzene triisocyanate
CID 21225664
1,4-bis(4-benzhydrylphenyl)benzene;ethane
CID 159665111
1-iodo-4-[(4-iodophenyl)-phenylmethyl]benzene
CID 138659961
benzhydrylbenzene;isocyanic acid
CID 172798878
1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene
CID 5083697
1-benzhydryl-4-chlorobenzene
CID 13050205
potassium trifluoro-[hydroxy(phenyl)methyl]boranuide
CID 154719960
4-benzhydrylpyridin-1-ium-1-amine
CID 23660224
1-benzhydryl-4-(2-phenylethenyl)benzene
CID 90954362
4-benzhydrylpyridine;ethane
CID 90843990

Frequently Asked Questions

What is the IUPAC name of benzhydrylbenzene hexatetrafluoroborate?
The IUPAC name of benzhydrylbenzene hexatetrafluoroborate (CID 173334521) is benzhydrylbenzene hexatetrafluoroborate.
What is the SMILES notation for benzhydrylbenzene hexatetrafluoroborate?
The canonical SMILES for benzhydrylbenzene hexatetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.c1ccc(C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzhydrylbenzene hexatetrafluoroborate?
The InChIKey is ZOFMVPVYQQAYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16.6BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6*2-1(3,4)5/h1-15,19H;;;;;;/q;6*-1.
What are the key properties of benzhydrylbenzene hexatetrafluoroborate?
benzhydrylbenzene hexatetrafluoroborate has a molecular weight of 765.16 g/mol, XLogP of 12.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylbenzene hexatetrafluoroborate is sourced from PubChem (CID 173334521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).