(6-chloro-9-phenylcarbazol-1-yl)boronic acid

C18H13BClNO2 — CID 166049001

IUPAC(6-chloro-9-phenylcarbazol-1-yl)boronic acid
SMILESOB(O)c1cccc2c3cc(Cl)ccc3n(-c3ccccc3)c12
InChIInChI=1S/C18H13BClNO2/c20-12-9-10-17-15(11-12)14-7-4-8-16(19(22)23)18(14)21(17)13-5-2-1-3-6-13/h1-11,22-23H
InChIKeyBGAQRDCRMZGUGI-UHFFFAOYSA-N
MW321.57 g/mol
LogP3.12
Rot. Bonds2

About (6-chloro-9-phenylcarbazol-1-yl)boronic acid

(6-chloro-9-phenylcarbazol-1-yl)boronic acid (PubChem CID 166049001) has the molecular formula C18H13BClNO2 and a molecular weight of 321.57 g/mol. Its IUPAC name is (6-chloro-9-phenylcarbazol-1-yl)boronic acid.

Molecular Properties

Compound Name(6-chloro-9-phenylcarbazol-1-yl)boronic acid
PubChem CID166049001
Molecular FormulaC18H13BClNO2
Molecular Weight321.57 g/mol
Exact Mass321.07
IUPAC Name(6-chloro-9-phenylcarbazol-1-yl)boronic acid
SMILESOB(O)c1cccc2c3cc(Cl)ccc3n(-c3ccccc3)c12
InChIInChI=1S/C18H13BClNO2/c20-12-9-10-17-15(11-12)14-7-4-8-16(19(22)23)18(14)21(17)13-5-2-1-3-6-13/h1-11,22-23H
InChIKeyBGAQRDCRMZGUGI-UHFFFAOYSA-N
XLogP3.12
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.57
LogP ≤ 53.12
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

6-chloro-1-phenyl-9-(3-phenylphenyl)carbazole
CID 169012064
9-chloro-12-phenyl-[1]benzothiolo[3,2-a]carbazole
CID 166009350
(9-phenylcarbazol-4-yl)boronic acid
CID 90057429
ethane;(9-phenylcarbazol-4-yl)boronic acid
CID 178110282
5-chloro-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 130456935
6-chloro-2-fluoro-9-phenylcarbazole
CID 142744719
6-chloro-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15,17,19,21(25),22-dodecaene
CID 166692123
3-(4-chlorophenyl)-9-phenylcarbazole
CID 59365524
5,16-dichloro-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
CID 171084620
2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
CID 152827310
5-chloro-1,3-diphenylbenzimidazol-2-one
CID 3061785
3-chloro-6-(4-ethenylphenyl)-9-phenylcarbazole
CID 155172977

Frequently Asked Questions

What is the IUPAC name of (6-chloro-9-phenylcarbazol-1-yl)boronic acid?
The IUPAC name of (6-chloro-9-phenylcarbazol-1-yl)boronic acid (CID 166049001) is (6-chloro-9-phenylcarbazol-1-yl)boronic acid.
What is the SMILES notation for (6-chloro-9-phenylcarbazol-1-yl)boronic acid?
The canonical SMILES for (6-chloro-9-phenylcarbazol-1-yl)boronic acid is OB(O)c1cccc2c3cc(Cl)ccc3n(-c3ccccc3)c12.
What is the InChIKey of (6-chloro-9-phenylcarbazol-1-yl)boronic acid?
The InChIKey is BGAQRDCRMZGUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BClNO2/c20-12-9-10-17-15(11-12)14-7-4-8-16(19(22)23)18(14)21(17)13-5-2-1-3-6-13/h1-11,22-23H.
What are the key properties of (6-chloro-9-phenylcarbazol-1-yl)boronic acid?
(6-chloro-9-phenylcarbazol-1-yl)boronic acid has a molecular weight of 321.57 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-9-phenylcarbazol-1-yl)boronic acid is sourced from PubChem (CID 166049001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).