12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole

C23H14N2O — CID 118502561

IUPAC12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccncc3)c21
InChIInChI=1S/C23H14N2O/c1-3-7-20-16(5-1)18-9-10-19-17-6-2-4-8-21(17)26-23(19)22(18)25(20)15-11-13-24-14-12-15/h1-14H
InChIKeyTXJFDIYJZLLBRF-UHFFFAOYSA-N
MW334.38 g/mol
LogP6.08
Rot. Bonds1

About 12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole

12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole (PubChem CID 118502561) has the molecular formula C23H14N2O and a molecular weight of 334.38 g/mol. Its IUPAC name is 12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole
PubChem CID118502561
Molecular FormulaC23H14N2O
Molecular Weight334.38 g/mol
Exact Mass334.11
IUPAC Name12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccncc3)c21
InChIInChI=1S/C23H14N2O/c1-3-7-20-16(5-1)18-9-10-19-17-6-2-4-8-21(17)26-23(19)22(18)25(20)15-11-13-24-14-12-15/h1-14H
InChIKeyTXJFDIYJZLLBRF-UHFFFAOYSA-N
XLogP6.08
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.38
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole
CID 129291278
12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 122548582
12-dibenzofuran-4-yl-18-phenyl-15-oxa-12,18-diazaheptacyclo[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 121369237
12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510159
[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-(4-carbazol-9-ylphenyl)-diphenyl-λ4-sulfane
CID 134259891
12,18-di(dibenzofuran-2-yl)-15-oxa-12,18-diazaheptacyclo[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 121286461
18-phenyl-9-pyridin-4-yl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118634621
12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510073
[4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588195
12-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166509852
15,24-diphenyl-12-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 126679111
12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 122548581

Frequently Asked Questions

What is the IUPAC name of 12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole (CID 118502561) is 12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole is c1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccncc3)c21.
What is the InChIKey of 12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is TXJFDIYJZLLBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2O/c1-3-7-20-16(5-1)18-9-10-19-17-6-2-4-8-21(17)26-23(19)22(18)25(20)15-11-13-24-14-12-15/h1-14H.
What are the key properties of 12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole?
12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole has a molecular weight of 334.38 g/mol, XLogP of 6.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 118502561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).