[4-(1,2-dihydroacenaphthylen-4-yl)-2,3-bis(ethenyl)naphthalen-1-yl]boronic acid

C26H21BO2 — CID 143152304

IUPAC[4-(1,2-dihydroacenaphthylen-4-yl)-2,3-bis(ethenyl)naphthalen-1-yl]boronic acid
SMILESC=Cc1c(C=C)c(-c2cc3c4c(cccc4c2)CC3)c2ccccc2c1B(O)O
InChIInChI=1S/C26H21BO2/c1-3-20-21(4-2)26(27(28)29)23-11-6-5-10-22(23)25(20)19-14-17-9-7-8-16-12-13-18(15-19)24(16)17/h3-11,14-15,28-29H,1-2,12-13H2
InChIKeyXGIMDJBGXSVGIO-UHFFFAOYSA-N
MW376.26 g/mol
LogP4.72
Rot. Bonds4

About [4-(1,2-dihydroacenaphthylen-4-yl)-2,3-bis(ethenyl)naphthalen-1-yl]boronic acid

[4-(1,2-dihydroacenaphthylen-4-yl)-2,3-bis(ethenyl)naphthalen-1-yl]boronic acid (PubChem CID 143152304) has the molecular formula C26H21BO2 and a molecular weight of 376.26 g/mol. Its IUPAC name is [4-(1,2-dihydroacenaphthylen-4-yl)-2,3-bis(ethenyl)naphthalen-1-yl]boronic acid.

Molecular Properties

Compound Name[4-(1,2-dihydroacenaphthylen-4-yl)-2,3-bis(ethenyl)naphthalen-1-yl]boronic acid
PubChem CID143152304
Molecular FormulaC26H21BO2
Molecular Weight376.26 g/mol
Exact Mass376.16
IUPAC Name[4-(1,2-dihydroacenaphthylen-4-yl)-2,3-bis(ethenyl)naphthalen-1-yl]boronic acid
SMILESC=Cc1c(C=C)c(-c2cc3c4c(cccc4c2)CC3)c2ccccc2c1B(O)O
InChIInChI=1S/C26H21BO2/c1-3-20-21(4-2)26(27(28)29)23-11-6-5-10-22(23)25(20)19-14-17-9-7-8-16-12-13-18(15-19)24(16)17/h3-11,14-15,28-29H,1-2,12-13H2
InChIKeyXGIMDJBGXSVGIO-UHFFFAOYSA-N
XLogP4.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2,3-bis(ethenyl)-4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]boronic acid;1-bromophenanthrene;9-(3-naphthalen-1-ylphenyl)-10-phenanthren-1-ylanthracene
CID 160812396
[2,3-bis(ethenyl)naphthalen-1-yl]boronic acid;ethane
CID 142377515
1-(1,2-dihydroacenaphthylen-4-yl)anthracen-9-ol
CID 135158112
9-[2,3-bis(ethenyl)-4-phenanthren-9-ylnaphthalen-1-yl]phenanthrene
CID 143856224
anthracene;1,2-dihydroacenaphthylene;perylene
CID 161092336
3-bromophenanthrene;[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]boronic acid;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-3-ylanthracene
CID 162212474
1,2-dihydroacenaphthylene;perylene
CID 157201241
9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene
CID 143595046
1,2-dihydroacenaphthylene
CID 161018660
(10-naphthalen-1-ylanthracen-9-yl)boronic acid
CID 23088558
2-(3-bromophenyl)triphenylene;[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]boronic acid;2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 161175720
1-[2,3-bis(ethenyl)-4-naphthalen-2-ylphenyl]-4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalene
CID 143856218

Frequently Asked Questions

What is the IUPAC name of [4-(1,2-dihydroacenaphthylen-4-yl)-2,3-bis(ethenyl)naphthalen-1-yl]boronic acid?
The IUPAC name of [4-(1,2-dihydroacenaphthylen-4-yl)-2,3-bis(ethenyl)naphthalen-1-yl]boronic acid (CID 143152304) is [4-(1,2-dihydroacenaphthylen-4-yl)-2,3-bis(ethenyl)naphthalen-1-yl]boronic acid.
What is the SMILES notation for [4-(1,2-dihydroacenaphthylen-4-yl)-2,3-bis(ethenyl)naphthalen-1-yl]boronic acid?
The canonical SMILES for [4-(1,2-dihydroacenaphthylen-4-yl)-2,3-bis(ethenyl)naphthalen-1-yl]boronic acid is C=Cc1c(C=C)c(-c2cc3c4c(cccc4c2)CC3)c2ccccc2c1B(O)O.
What is the InChIKey of [4-(1,2-dihydroacenaphthylen-4-yl)-2,3-bis(ethenyl)naphthalen-1-yl]boronic acid?
The InChIKey is XGIMDJBGXSVGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21BO2/c1-3-20-21(4-2)26(27(28)29)23-11-6-5-10-22(23)25(20)19-14-17-9-7-8-16-12-13-18(15-19)24(16)17/h3-11,14-15,28-29H,1-2,12-13H2.
What are the key properties of [4-(1,2-dihydroacenaphthylen-4-yl)-2,3-bis(ethenyl)naphthalen-1-yl]boronic acid?
[4-(1,2-dihydroacenaphthylen-4-yl)-2,3-bis(ethenyl)naphthalen-1-yl]boronic acid has a molecular weight of 376.26 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-dihydroacenaphthylen-4-yl)-2,3-bis(ethenyl)naphthalen-1-yl]boronic acid is sourced from PubChem (CID 143152304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).