2-[amino(naphthalen-2-yl)boranyl]naphthalene

C20H16BN — CID 145357274

IUPAC2-[amino(naphthalen-2-yl)boranyl]naphthalene
SMILESNB(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C20H16BN/c22-21(19-11-9-15-5-1-3-7-17(15)13-19)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H,22H2
InChIKeySDPJBNTYUKMZDM-UHFFFAOYSA-N
MW281.17 g/mol
LogP3.06
Rot. Bonds2

About 2-[amino(naphthalen-2-yl)boranyl]naphthalene

2-[amino(naphthalen-2-yl)boranyl]naphthalene (PubChem CID 145357274) has the molecular formula C20H16BN and a molecular weight of 281.17 g/mol. Its IUPAC name is 2-[amino(naphthalen-2-yl)boranyl]naphthalene.

Molecular Properties

Compound Name2-[amino(naphthalen-2-yl)boranyl]naphthalene
PubChem CID145357274
Molecular FormulaC20H16BN
Molecular Weight281.17 g/mol
Exact Mass281.14
IUPAC Name2-[amino(naphthalen-2-yl)boranyl]naphthalene
SMILESNB(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C20H16BN/c22-21(19-11-9-15-5-1-3-7-17(15)13-19)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H,22H2
InChIKeySDPJBNTYUKMZDM-UHFFFAOYSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.17
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 15647766
CID 15647766
anthracene;benzene;naphthalene
CID 142706236
naphthalene
CID 10240860
naphthalene
CID 21288458
anthracene;ethane;naphthalene
CID 159079166
ethane;naphthalen-2-amine
CID 70389802
anthracene;naphthalene;phenanthrene
CID 158591187
anthracene;silane
CID 131739126
methanamine;naphthalene
CID 19768161
lithium anthracene
CID 22662646
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
anthracene;vanadium
CID 173418141

Frequently Asked Questions

What is the IUPAC name of 2-[amino(naphthalen-2-yl)boranyl]naphthalene?
The IUPAC name of 2-[amino(naphthalen-2-yl)boranyl]naphthalene (CID 145357274) is 2-[amino(naphthalen-2-yl)boranyl]naphthalene.
What is the SMILES notation for 2-[amino(naphthalen-2-yl)boranyl]naphthalene?
The canonical SMILES for 2-[amino(naphthalen-2-yl)boranyl]naphthalene is NB(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[amino(naphthalen-2-yl)boranyl]naphthalene?
The InChIKey is SDPJBNTYUKMZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BN/c22-21(19-11-9-15-5-1-3-7-17(15)13-19)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H,22H2.
What are the key properties of 2-[amino(naphthalen-2-yl)boranyl]naphthalene?
2-[amino(naphthalen-2-yl)boranyl]naphthalene has a molecular weight of 281.17 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(naphthalen-2-yl)boranyl]naphthalene is sourced from PubChem (CID 145357274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).