ethane;(9-phenylcarbazol-4-yl)boronic acid

C20H20BNO2 — CID 178110282

IUPACethane;(9-phenylcarbazol-4-yl)boronic acid
SMILESCC.OB(O)c1cccc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C18H14BNO2.C2H6/c21-19(22)15-10-6-12-17-18(15)14-9-4-5-11-16(14)20(17)13-7-2-1-3-8-13;1-2/h1-12,21-22H;1-2H3
InChIKeyZRSKYZWBLWVSMU-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.49
Rot. Bonds2

About ethane;(9-phenylcarbazol-4-yl)boronic acid

ethane;(9-phenylcarbazol-4-yl)boronic acid (PubChem CID 178110282) has the molecular formula C20H20BNO2 and a molecular weight of 317.20 g/mol. Its IUPAC name is ethane;(9-phenylcarbazol-4-yl)boronic acid.

Molecular Properties

Compound Nameethane;(9-phenylcarbazol-4-yl)boronic acid
PubChem CID178110282
Molecular FormulaC20H20BNO2
Molecular Weight317.20 g/mol
Exact Mass317.16
IUPAC Nameethane;(9-phenylcarbazol-4-yl)boronic acid
SMILESCC.OB(O)c1cccc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C18H14BNO2.C2H6/c21-19(22)15-10-6-12-17-18(15)14-9-4-5-11-16(14)20(17)13-7-2-1-3-8-13;1-2/h1-12,21-22H;1-2H3
InChIKeyZRSKYZWBLWVSMU-UHFFFAOYSA-N
XLogP3.49
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.49
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

(9-phenylcarbazol-4-yl)boronic acid
CID 90057429
[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]boronic acid;(9-naphthalen-2-ylcarbazol-4-yl)boronic acid;(9-phenylcarbazol-4-yl)boronic acid;[9-(3-phenylphenyl)carbazol-4-yl]boronic acid;[9-(4-phenylphenyl)carbazol-4-yl]boronic acid
CID 158701629
4-iodo-9-phenylcarbazole
CID 126592391
9-phenyl-4-pyrrol-1-ylcarbazole
CID 168863070
9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
CID 177063537
2-(9-phenylcarbazol-4-yl)acetic acid
CID 154200316
9-phenyl-14-[10-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)anthracen-9-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170394033
[4-(4-phenyl-N-(9-phenylcarbazol-4-yl)anilino)phenyl]boronic acid
CID 171410503
9-phenyl-14-prop-1-en-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 142355826
12,18-diphenyl-15-(9-phenylcarbazol-4-yl)-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 174349441
ethane;9-[3-(4-phenylphenyl)phenyl]-14-[4-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 177063600
(6-chloro-9-phenylcarbazol-1-yl)boronic acid
CID 166049001

Frequently Asked Questions

What is the IUPAC name of ethane;(9-phenylcarbazol-4-yl)boronic acid?
The IUPAC name of ethane;(9-phenylcarbazol-4-yl)boronic acid (CID 178110282) is ethane;(9-phenylcarbazol-4-yl)boronic acid.
What is the SMILES notation for ethane;(9-phenylcarbazol-4-yl)boronic acid?
The canonical SMILES for ethane;(9-phenylcarbazol-4-yl)boronic acid is CC.OB(O)c1cccc2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of ethane;(9-phenylcarbazol-4-yl)boronic acid?
The InChIKey is ZRSKYZWBLWVSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BNO2.C2H6/c21-19(22)15-10-6-12-17-18(15)14-9-4-5-11-16(14)20(17)13-7-2-1-3-8-13;1-2/h1-12,21-22H;1-2H3.
What are the key properties of ethane;(9-phenylcarbazol-4-yl)boronic acid?
ethane;(9-phenylcarbazol-4-yl)boronic acid has a molecular weight of 317.20 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(9-phenylcarbazol-4-yl)boronic acid is sourced from PubChem (CID 178110282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).