(8-methyl-9-phenyl-7,8-dihydrocarbazol-2-yl)boronic acid

C19H18BNO2 — CID 163561656

IUPAC(8-methyl-9-phenyl-7,8-dihydrocarbazol-2-yl)boronic acid
SMILESCC1CC=Cc2c1n(-c1ccccc1)c1cc(B(O)O)ccc21
InChIInChI=1S/C19H18BNO2/c1-13-6-5-9-17-16-11-10-14(20(22)23)12-18(16)21(19(13)17)15-7-3-2-4-8-15/h2-5,7-13,22-23H,6H2,1H3
InChIKeyFRSCVYBQKRCDNW-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.83
Rot. Bonds2

About (8-methyl-9-phenyl-7,8-dihydrocarbazol-2-yl)boronic acid

(8-methyl-9-phenyl-7,8-dihydrocarbazol-2-yl)boronic acid (PubChem CID 163561656) has the molecular formula C19H18BNO2 and a molecular weight of 303.17 g/mol. Its IUPAC name is (8-methyl-9-phenyl-7,8-dihydrocarbazol-2-yl)boronic acid.

Molecular Properties

Compound Name(8-methyl-9-phenyl-7,8-dihydrocarbazol-2-yl)boronic acid
PubChem CID163561656
Molecular FormulaC19H18BNO2
Molecular Weight303.17 g/mol
Exact Mass303.14
IUPAC Name(8-methyl-9-phenyl-7,8-dihydrocarbazol-2-yl)boronic acid
SMILESCC1CC=Cc2c1n(-c1ccccc1)c1cc(B(O)O)ccc21
InChIInChI=1S/C19H18BNO2/c1-13-6-5-9-17-16-11-10-14(20(22)23)12-18(16)21(19(13)17)15-7-3-2-4-8-15/h2-5,7-13,22-23H,6H2,1H3
InChIKeyFRSCVYBQKRCDNW-UHFFFAOYSA-N
XLogP2.83
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-(1-methyl-1,2-dihydrocarbazol-9-yl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
CID 123369795
(6,9-diphenylcarbazol-2-yl)boronic acid
CID 86770794
11-[2-(2-fluoranthen-8-ylphenyl)phenyl]-8-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)benzo[a]carbazole
CID 134535308
12-[3-(10-methyl-5-phenyl-4a,9,10,12b-tetrahydroindolo[3,2-b]carbazol-11-yl)-5-phenylphenyl]-11-phenylindolo[2,3-a]carbazole
CID 170206685
6-(9H-carbazol-3-yl)-1-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole
CID 166670155
9-[3-(1,2-dihydrocarbazol-9-ylmethyl)phenyl]-1-methyl-1,2-dihydrocarbazole
CID 156510593
(12-phenyl-[1]benzofuro[2,3-a]carbazol-2-yl)boronic acid
CID 171402621
9-[5-methyl-4-[2-[4-[2-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]cyclohexa-1,3-dien-1-yl]carbazole
CID 163496407
4-[9-(4-ethenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]benzaldehyde
CID 155015317
[9-(3-phenylphenyl)carbazol-2-yl]boronic acid
CID 135743560
[4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid
CID 154692123
4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole
CID 144884300

Frequently Asked Questions

What is the IUPAC name of (8-methyl-9-phenyl-7,8-dihydrocarbazol-2-yl)boronic acid?
The IUPAC name of (8-methyl-9-phenyl-7,8-dihydrocarbazol-2-yl)boronic acid (CID 163561656) is (8-methyl-9-phenyl-7,8-dihydrocarbazol-2-yl)boronic acid.
What is the SMILES notation for (8-methyl-9-phenyl-7,8-dihydrocarbazol-2-yl)boronic acid?
The canonical SMILES for (8-methyl-9-phenyl-7,8-dihydrocarbazol-2-yl)boronic acid is CC1CC=Cc2c1n(-c1ccccc1)c1cc(B(O)O)ccc21.
What is the InChIKey of (8-methyl-9-phenyl-7,8-dihydrocarbazol-2-yl)boronic acid?
The InChIKey is FRSCVYBQKRCDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BNO2/c1-13-6-5-9-17-16-11-10-14(20(22)23)12-18(16)21(19(13)17)15-7-3-2-4-8-15/h2-5,7-13,22-23H,6H2,1H3.
What are the key properties of (8-methyl-9-phenyl-7,8-dihydrocarbazol-2-yl)boronic acid?
(8-methyl-9-phenyl-7,8-dihydrocarbazol-2-yl)boronic acid has a molecular weight of 303.17 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-9-phenyl-7,8-dihydrocarbazol-2-yl)boronic acid is sourced from PubChem (CID 163561656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).