11-(1,3-benzoxazol-4-yl)-[1]benzofuro[3,2-b]carbazole

C25H14N2O2 — CID 118488526

IUPAC11-(1,3-benzoxazol-4-yl)-[1]benzofuro[3,2-b]carbazole
SMILESc1cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c2ncoc2c1
InChIInChI=1S/C25H14N2O2/c1-3-8-19-15(6-1)17-13-24-18(16-7-2-4-10-22(16)29-24)12-21(17)27(19)20-9-5-11-23-25(20)26-14-28-23/h1-14H
InChIKeyYIAXFMFWNNMOLU-UHFFFAOYSA-N
MW374.40 g/mol
LogP6.82
Rot. Bonds1

About 11-(1,3-benzoxazol-4-yl)-[1]benzofuro[3,2-b]carbazole

11-(1,3-benzoxazol-4-yl)-[1]benzofuro[3,2-b]carbazole (PubChem CID 118488526) has the molecular formula C25H14N2O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 11-(1,3-benzoxazol-4-yl)-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-(1,3-benzoxazol-4-yl)-[1]benzofuro[3,2-b]carbazole
PubChem CID118488526
Molecular FormulaC25H14N2O2
Molecular Weight374.40 g/mol
Exact Mass374.11
IUPAC Name11-(1,3-benzoxazol-4-yl)-[1]benzofuro[3,2-b]carbazole
SMILESc1cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c2ncoc2c1
InChIInChI=1S/C25H14N2O2/c1-3-8-19-15(6-1)17-13-24-18(16-7-2-4-10-22(16)29-24)12-21(17)27(19)20-9-5-11-23-25(20)26-14-28-23/h1-14H
InChIKeyYIAXFMFWNNMOLU-UHFFFAOYSA-N
XLogP6.82
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.40
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
10-dibenzofuran-4-yl-21-oxa-10,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-20-one
CID 118248450
30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361076
4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile
CID 129300231
4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline
CID 175536388
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzofuro[3,2-b]carbazole
CID 163515985
11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-b]carbazole
CID 165165805
7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 164955673
2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 129291049
7-(16-oxa-2,3,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaen-14-yl)-[1]benzofuro[2,3-b]carbazole
CID 163495762
11-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 164932870
11-[2-(2-carbazol-9-yl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 126695598

Frequently Asked Questions

What is the IUPAC name of 11-(1,3-benzoxazol-4-yl)-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-(1,3-benzoxazol-4-yl)-[1]benzofuro[3,2-b]carbazole (CID 118488526) is 11-(1,3-benzoxazol-4-yl)-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-(1,3-benzoxazol-4-yl)-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-(1,3-benzoxazol-4-yl)-[1]benzofuro[3,2-b]carbazole is c1cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c2ncoc2c1.
What is the InChIKey of 11-(1,3-benzoxazol-4-yl)-[1]benzofuro[3,2-b]carbazole?
The InChIKey is YIAXFMFWNNMOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14N2O2/c1-3-8-19-15(6-1)17-13-24-18(16-7-2-4-10-22(16)29-24)12-21(17)27(19)20-9-5-11-23-25(20)26-14-28-23/h1-14H.
What are the key properties of 11-(1,3-benzoxazol-4-yl)-[1]benzofuro[3,2-b]carbazole?
11-(1,3-benzoxazol-4-yl)-[1]benzofuro[3,2-b]carbazole has a molecular weight of 374.40 g/mol, XLogP of 6.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1,3-benzoxazol-4-yl)-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 118488526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).