7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid

C18H15BO2 — CID 141414000

IUPAC7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid
SMILESOB(O)c1cc2ccccc2c2c1CCc1ccccc1-2
InChIInChI=1S/C18H15BO2/c20-19(21)17-11-13-6-2-4-8-15(13)18-14-7-3-1-5-12(14)9-10-16(17)18/h1-8,11,20-21H,9-10H2
InChIKeySZERENLAQLJWNZ-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.29
Rot. Bonds1

About 7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid

7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid (PubChem CID 141414000) has the molecular formula C18H15BO2 and a molecular weight of 274.13 g/mol. Its IUPAC name is 7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid.

Molecular Properties

Compound Name7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid
PubChem CID141414000
Molecular FormulaC18H15BO2
Molecular Weight274.13 g/mol
Exact Mass274.12
IUPAC Name7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid
SMILESOB(O)c1cc2ccccc2c2c1CCc1ccccc1-2
InChIInChI=1S/C18H15BO2/c20-19(21)17-11-13-6-2-4-8-15(13)18-14-7-3-1-5-12(14)9-10-16(17)18/h1-8,11,20-21H,9-10H2
InChIKeySZERENLAQLJWNZ-UHFFFAOYSA-N
XLogP2.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.29
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

6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene
CID 144726294
phenanthren-9-ylboronic acid
CID 158011086
9,10-dihydrophenanthrene;phenanthrene
CID 159340402
(10-naphthalen-1-ylanthracen-1-yl)boronic acid
CID 154381135
4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54538385
4-naphthalen-1-yl-2,3-dihydrocyclopenta[b]naphthalen-1-one
CID 134969765
1-(12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaen-13-yl)naphthalen-2-ol
CID 137271237
1,2,3,4-tetramethyl-9,10-dihydrophenanthrene
CID 175462605
2-methyl-9,10-dihydrophenanthrene-1,4-diol
CID 154253176
3-hydroxy-1-phenanthren-2-yl-9,10-dihydrophenanthrene-4-carbonitrile
CID 101362889
1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol
CID 162414492
9-bromoanthracene;9-naphthalen-1-ylanthracene;naphthalen-1-ylboronic acid
CID 158003519

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid?
The IUPAC name of 7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid (CID 141414000) is 7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid.
What is the SMILES notation for 7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid?
The canonical SMILES for 7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid is OB(O)c1cc2ccccc2c2c1CCc1ccccc1-2.
What is the InChIKey of 7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid?
The InChIKey is SZERENLAQLJWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BO2/c20-19(21)17-11-13-6-2-4-8-15(13)18-14-7-3-1-5-12(14)9-10-16(17)18/h1-8,11,20-21H,9-10H2.
What are the key properties of 7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid?
7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid has a molecular weight of 274.13 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid is sourced from PubChem (CID 141414000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).