7-[3-(5-phenyl-3H-1,2,4-triazol-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole

C32H20N4O — CID 118449317

IUPAC7-[3-(5-phenyl-3H-1,2,4-triazol-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(C2=NC(c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c3)N=N2)cc1
InChIInChI=1S/C32H20N4O/c1-2-9-20(10-3-1)31-33-32(35-34-31)21-11-8-12-22(17-21)36-27-15-6-4-13-23(27)25-18-26-24-14-5-7-16-29(24)37-30(26)19-28(25)36/h1-19,32H
InChIKeyASIFMVBSBQQZGH-UHFFFAOYSA-N
MW476.54 g/mol
LogP8.59
Rot. Bonds3

About 7-[3-(5-phenyl-3H-1,2,4-triazol-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole

7-[3-(5-phenyl-3H-1,2,4-triazol-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 118449317) has the molecular formula C32H20N4O and a molecular weight of 476.54 g/mol. Its IUPAC name is 7-[3-(5-phenyl-3H-1,2,4-triazol-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[3-(5-phenyl-3H-1,2,4-triazol-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
PubChem CID118449317
Molecular FormulaC32H20N4O
Molecular Weight476.54 g/mol
Exact Mass476.16
IUPAC Name7-[3-(5-phenyl-3H-1,2,4-triazol-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(C2=NC(c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c3)N=N2)cc1
InChIInChI=1S/C32H20N4O/c1-2-9-20(10-3-1)31-33-32(35-34-31)21-11-8-12-22(17-21)36-27-15-6-4-13-23(27)25-18-26-24-14-5-7-16-29(24)37-30(26)19-28(25)36/h1-19,32H
InChIKeyASIFMVBSBQQZGH-UHFFFAOYSA-N
XLogP8.59
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 140957385
25-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 145268764
7-(3-dibenzofuran-1-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 171612106
7-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 164802716
19-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 140957360
2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163733499
5-dibenzofuran-3-yl-7-[3-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 171414735
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-phenylcarbazol-9-yl)-[1]benzofuro[2,3-b]carbazole
CID 155006709
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163958673
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092

Frequently Asked Questions

What is the IUPAC name of 7-[3-(5-phenyl-3H-1,2,4-triazol-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[3-(5-phenyl-3H-1,2,4-triazol-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole (CID 118449317) is 7-[3-(5-phenyl-3H-1,2,4-triazol-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[3-(5-phenyl-3H-1,2,4-triazol-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[3-(5-phenyl-3H-1,2,4-triazol-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole is c1ccc(C2=NC(c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c3)N=N2)cc1.
What is the InChIKey of 7-[3-(5-phenyl-3H-1,2,4-triazol-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is ASIFMVBSBQQZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N4O/c1-2-9-20(10-3-1)31-33-32(35-34-31)21-11-8-12-22(17-21)36-27-15-6-4-13-23(27)25-18-26-24-14-5-7-16-29(24)37-30(26)19-28(25)36/h1-19,32H.
What are the key properties of 7-[3-(5-phenyl-3H-1,2,4-triazol-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
7-[3-(5-phenyl-3H-1,2,4-triazol-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 476.54 g/mol, XLogP of 8.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(5-phenyl-3H-1,2,4-triazol-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 118449317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).