[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid

C19H17BO2 — CID 145237300

IUPAC[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid
SMILESC=Cc1c(/C=C\C)c2ccc(B(O)O)cc2c2ccccc12
InChIInChI=1S/C19H17BO2/c1-3-7-15-14(4-2)16-8-5-6-9-17(16)19-12-13(20(21)22)10-11-18(15)19/h3-12,21-22H,2H2,1H3/b7-3-
InChIKeyKWMXHCGMQXHBPB-CLTKARDFSA-N
MW288.16 g/mol
LogP3.35
Rot. Bonds3

About [9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid

[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid (PubChem CID 145237300) has the molecular formula C19H17BO2 and a molecular weight of 288.16 g/mol. Its IUPAC name is [9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid.

Molecular Properties

Compound Name[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid
PubChem CID145237300
Molecular FormulaC19H17BO2
Molecular Weight288.16 g/mol
Exact Mass288.13
IUPAC Name[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid
SMILESC=Cc1c(/C=C\C)c2ccc(B(O)O)cc2c2ccccc12
InChIInChI=1S/C19H17BO2/c1-3-7-15-14(4-2)16-8-5-6-9-17(16)19-12-13(20(21)22)10-11-18(15)19/h3-12,21-22H,2H2,1H3/b7-3-
InChIKeyKWMXHCGMQXHBPB-CLTKARDFSA-N
XLogP3.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline
CID 130291492
[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]boronic acid
CID 142377841
[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid
CID 167453480
9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene
CID 153357607
2-bromotriphenylene;triphenylen-2-ylboronic acid
CID 160518339
10-ethenyl-9-[(Z)-prop-1-enyl]-N-[(2Z,4Z)-2-pyrrol-1-ylhexa-2,4-dien-3-yl]phenanthren-3-amine
CID 145339548
ethane;[2-ethenyl-1-[(Z)-prop-1-enyl]dibenzothiophen-3-yl]boronic acid
CID 145148588
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline
CID 145189562
1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene
CID 123587907
12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole
CID 144788021
9-ethenyl-10-methylphenanthrene
CID 123648763
[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid
CID 144640440

Frequently Asked Questions

What is the IUPAC name of [9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid?
The IUPAC name of [9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid (CID 145237300) is [9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid.
What is the SMILES notation for [9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid?
The canonical SMILES for [9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid is C=Cc1c(/C=C\C)c2ccc(B(O)O)cc2c2ccccc12.
What is the InChIKey of [9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid?
The InChIKey is KWMXHCGMQXHBPB-CLTKARDFSA-N. The full InChI is InChI=1S/C19H17BO2/c1-3-7-15-14(4-2)16-8-5-6-9-17(16)19-12-13(20(21)22)10-11-18(15)19/h3-12,21-22H,2H2,1H3/b7-3-.
What are the key properties of [9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid?
[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid has a molecular weight of 288.16 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid is sourced from PubChem (CID 145237300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).