2-(11H-benzo[a]carbazol-1-yl)-1,3-benzoxazole

C23H14N2O — CID 141473006

IUPAC2-(11H-benzo[a]carbazol-1-yl)-1,3-benzoxazole
SMILESc1cc(-c2nc3ccccc3o2)c2c(c1)ccc1c3ccccc3[nH]c12
InChIInChI=1S/C23H14N2O/c1-2-9-18-15(7-1)16-13-12-14-6-5-8-17(21(14)22(16)24-18)23-25-19-10-3-4-11-20(19)26-23/h1-13,24H
InChIKeyONCXBDHYGPNQNY-UHFFFAOYSA-N
MW334.38 g/mol
LogP6.28
Rot. Bonds1

About 2-(11H-benzo[a]carbazol-1-yl)-1,3-benzoxazole

2-(11H-benzo[a]carbazol-1-yl)-1,3-benzoxazole (PubChem CID 141473006) has the molecular formula C23H14N2O and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(11H-benzo[a]carbazol-1-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(11H-benzo[a]carbazol-1-yl)-1,3-benzoxazole
PubChem CID141473006
Molecular FormulaC23H14N2O
Molecular Weight334.38 g/mol
Exact Mass334.11
IUPAC Name2-(11H-benzo[a]carbazol-1-yl)-1,3-benzoxazole
SMILESc1cc(-c2nc3ccccc3o2)c2c(c1)ccc1c3ccccc3[nH]c12
InChIInChI=1S/C23H14N2O/c1-2-9-18-15(7-1)16-13-12-14-6-5-8-17(21(14)22(16)24-18)23-25-19-10-3-4-11-20(19)26-23/h1-13,24H
InChIKeyONCXBDHYGPNQNY-UHFFFAOYSA-N
XLogP6.28
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.38
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 90219451
6-(1,3-benzoxazol-2-yl)benzo[de]isoquinoline-1,3-dione
CID 155420196
2-(1H-benzimidazol-4-yl)-1,3-benzoxazole
CID 19842994
12H-[1]benzofuro[3,2-a]carbazole;ethane
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9-(1,3-benzoxazol-2-yl)-N-chrysen-3-yl-N-phenyldibenzofuran-2-amine
CID 177081356
11H-benzo[a]carbazol-1-ylboronic acid
CID 176903535
23-azaoctacyclo[16.15.0.02,15.05,14.06,11.021,33.022,30.024,29]tritriaconta-1(18),2(15),3,5(14),6,8,10,12,16,19,21(33),22(30),24,26,28,31-hexadecaene
CID 141416725
4-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 177081739
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine
CID 177082383
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzoxazole
CID 147874262
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(8-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081939
2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
CID 19044929

Frequently Asked Questions

What is the IUPAC name of 2-(11H-benzo[a]carbazol-1-yl)-1,3-benzoxazole?
The IUPAC name of 2-(11H-benzo[a]carbazol-1-yl)-1,3-benzoxazole (CID 141473006) is 2-(11H-benzo[a]carbazol-1-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(11H-benzo[a]carbazol-1-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(11H-benzo[a]carbazol-1-yl)-1,3-benzoxazole is c1cc(-c2nc3ccccc3o2)c2c(c1)ccc1c3ccccc3[nH]c12.
What is the InChIKey of 2-(11H-benzo[a]carbazol-1-yl)-1,3-benzoxazole?
The InChIKey is ONCXBDHYGPNQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2O/c1-2-9-18-15(7-1)16-13-12-14-6-5-8-17(21(14)22(16)24-18)23-25-19-10-3-4-11-20(19)26-23/h1-13,24H.
What are the key properties of 2-(11H-benzo[a]carbazol-1-yl)-1,3-benzoxazole?
2-(11H-benzo[a]carbazol-1-yl)-1,3-benzoxazole has a molecular weight of 334.38 g/mol, XLogP of 6.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11H-benzo[a]carbazol-1-yl)-1,3-benzoxazole is sourced from PubChem (CID 141473006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).