(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)boronic acid

C18H16BNO2 — CID 153238097

IUPAC(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)boronic acid
SMILESOB(O)c1ccc2c(c1)c1ccccc1n2C1=CC=CCC1
InChIInChI=1S/C18H16BNO2/c21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-2,4-6,8-12,21-22H,3,7H2
InChIKeyWQWWEWYQXGMCHZ-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.67
Rot. Bonds2

About (9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)boronic acid

(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)boronic acid (PubChem CID 153238097) has the molecular formula C18H16BNO2 and a molecular weight of 289.14 g/mol. Its IUPAC name is (9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)boronic acid.

Molecular Properties

Compound Name(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)boronic acid
PubChem CID153238097
Molecular FormulaC18H16BNO2
Molecular Weight289.14 g/mol
Exact Mass289.13
IUPAC Name(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)boronic acid
SMILESOB(O)c1ccc2c(c1)c1ccccc1n2C1=CC=CCC1
InChIInChI=1S/C18H16BNO2/c21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-2,4-6,8-12,21-22H,3,7H2
InChIKeyWQWWEWYQXGMCHZ-UHFFFAOYSA-N
XLogP2.67
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.67
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-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-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-nonaene
CID 134442711
N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline
CID 153115110
3-[9-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142364492
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 70821591
3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-yl-6-phenylcarbazole
CID 169036908
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazol-3-amine
CID 89163979
11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole
CID 134390608
3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]carbazole
CID 145077522
CID 134171795
CID 134171795
9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole
CID 142364398
1-cyclohexa-1,3-dien-1-yl-2-methylquinazolin-4-one
CID 53440912
7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole
CID 139481313

Frequently Asked Questions

What is the IUPAC name of (9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)boronic acid?
The IUPAC name of (9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)boronic acid (CID 153238097) is (9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)boronic acid.
What is the SMILES notation for (9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)boronic acid?
The canonical SMILES for (9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)boronic acid is OB(O)c1ccc2c(c1)c1ccccc1n2C1=CC=CCC1.
What is the InChIKey of (9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)boronic acid?
The InChIKey is WQWWEWYQXGMCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BNO2/c21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-2,4-6,8-12,21-22H,3,7H2.
What are the key properties of (9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)boronic acid?
(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)boronic acid has a molecular weight of 289.14 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)boronic acid is sourced from PubChem (CID 153238097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).