[1-(2-benzylnaphthalen-1-yl)naphthalen-2-yl]-phenyliodanium tetrafluoroborate

C33H24BF4I — CID 10865132

IUPAC[1-(2-benzylnaphthalen-1-yl)naphthalen-2-yl]-phenyliodanium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(Cc2ccc3ccccc3c2-c2c([I+]c3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C33H24I.BF4/c1-3-11-24(12-4-1)23-27-20-19-25-13-7-9-17-29(25)32(27)33-30-18-10-8-14-26(30)21-22-31(33)34-28-15-5-2-6-16-28;2-1(3,4)5/h1-22H,23H2;/q+1;-1
InChIKeyBQCBQIUVAPIDHK-UHFFFAOYSA-N
MW634.26 g/mol
LogP6.68
Rot. Bonds5

About [1-(2-benzylnaphthalen-1-yl)naphthalen-2-yl]-phenyliodanium tetrafluoroborate

[1-(2-benzylnaphthalen-1-yl)naphthalen-2-yl]-phenyliodanium tetrafluoroborate (PubChem CID 10865132) has the molecular formula C33H24BF4I and a molecular weight of 634.26 g/mol. Its IUPAC name is [1-(2-benzylnaphthalen-1-yl)naphthalen-2-yl]-phenyliodanium tetrafluoroborate.

Molecular Properties

Compound Name[1-(2-benzylnaphthalen-1-yl)naphthalen-2-yl]-phenyliodanium tetrafluoroborate
PubChem CID10865132
Molecular FormulaC33H24BF4I
Molecular Weight634.26 g/mol
Exact Mass634.10
IUPAC Name[1-(2-benzylnaphthalen-1-yl)naphthalen-2-yl]-phenyliodanium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(Cc2ccc3ccccc3c2-c2c([I+]c3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C33H24I.BF4/c1-3-11-24(12-4-1)23-27-20-19-25-13-7-9-17-29(25)32(27)33-30-18-10-8-14-26(30)21-22-31(33)34-28-15-5-2-6-16-28;2-1(3,4)5/h1-22H,23H2;/q+1;-1
InChIKeyBQCBQIUVAPIDHK-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.26
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [1-(2-benzylnaphthalen-1-yl)naphthalen-2-yl]-phenyliodanium tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzo[a]pyrene
CID 2336
Pyrene
CID 31423
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001
1-Methylpyrene
CID 16932
Dibenzo(a,l)pyrene
CID 9119
DIBENZ(a,h)ANTHRACENE
CID 5889
Dibenzo(a,i)pyrene
CID 9106
Dibenzo(a,h)pyrene
CID 9108

Frequently Asked Questions

What is the IUPAC name of [1-(2-benzylnaphthalen-1-yl)naphthalen-2-yl]-phenyliodanium tetrafluoroborate?
The IUPAC name of [1-(2-benzylnaphthalen-1-yl)naphthalen-2-yl]-phenyliodanium tetrafluoroborate (CID 10865132) is [1-(2-benzylnaphthalen-1-yl)naphthalen-2-yl]-phenyliodanium tetrafluoroborate.
What is the SMILES notation for [1-(2-benzylnaphthalen-1-yl)naphthalen-2-yl]-phenyliodanium tetrafluoroborate?
The canonical SMILES for [1-(2-benzylnaphthalen-1-yl)naphthalen-2-yl]-phenyliodanium tetrafluoroborate is F[B-](F)(F)F.c1ccc(Cc2ccc3ccccc3c2-c2c([I+]c3ccccc3)ccc3ccccc23)cc1.
What is the InChIKey of [1-(2-benzylnaphthalen-1-yl)naphthalen-2-yl]-phenyliodanium tetrafluoroborate?
The InChIKey is BQCBQIUVAPIDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24I.BF4/c1-3-11-24(12-4-1)23-27-20-19-25-13-7-9-17-29(25)32(27)33-30-18-10-8-14-26(30)21-22-31(33)34-28-15-5-2-6-16-28;2-1(3,4)5/h1-22H,23H2;/q+1;-1.
What are the key properties of [1-(2-benzylnaphthalen-1-yl)naphthalen-2-yl]-phenyliodanium tetrafluoroborate?
[1-(2-benzylnaphthalen-1-yl)naphthalen-2-yl]-phenyliodanium tetrafluoroborate has a molecular weight of 634.26 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-benzylnaphthalen-1-yl)naphthalen-2-yl]-phenyliodanium tetrafluoroborate is sourced from PubChem (CID 10865132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).