4-(10H-[1]benzofuro[3,2-b]indol-7-yl)benzonitrile

C21H12N2O — CID 118534036

IUPAC4-(10H-[1]benzofuro[3,2-b]indol-7-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)oc2c4ccccc4[nH]c32)cc1
InChIInChI=1S/C21H12N2O/c22-12-13-5-7-14(8-6-13)15-9-10-17-19(11-15)24-21-16-3-1-2-4-18(16)23-20(17)21/h1-11,23H
InChIKeyXFSZPFLUFRRHID-UHFFFAOYSA-N
MW308.34 g/mol
LogP5.61
Rot. Bonds1

About 4-(10H-[1]benzofuro[3,2-b]indol-7-yl)benzonitrile

4-(10H-[1]benzofuro[3,2-b]indol-7-yl)benzonitrile (PubChem CID 118534036) has the molecular formula C21H12N2O and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-(10H-[1]benzofuro[3,2-b]indol-7-yl)benzonitrile.

Molecular Properties

Compound Name4-(10H-[1]benzofuro[3,2-b]indol-7-yl)benzonitrile
PubChem CID118534036
Molecular FormulaC21H12N2O
Molecular Weight308.34 g/mol
Exact Mass308.09
IUPAC Name4-(10H-[1]benzofuro[3,2-b]indol-7-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)oc2c4ccccc4[nH]c32)cc1
InChIInChI=1S/C21H12N2O/c22-12-13-5-7-14(8-6-13)15-9-10-17-19(11-15)24-21-16-3-1-2-4-18(16)23-20(17)21/h1-11,23H
InChIKeyXFSZPFLUFRRHID-UHFFFAOYSA-N
XLogP5.61
TPSA52.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.34
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10H-[1]benzofuro[3,2-b]indole-8-carbonitrile
CID 118534063
7-bromo-10H-[1]benzofuro[3,2-b]indole
CID 162350952
7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile
CID 176994445
4-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)phenyl]benzonitrile
CID 70847349
12H-[1]benzofuro[2,3-a]carbazole;ethane
CID 145125553
4-(3-dibenzofuran-4-ylphenyl)benzonitrile
CID 90393148
4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-18-yl)benzonitrile
CID 56649912
4-[16-(4-cyanophenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]benzonitrile
CID 70854772
4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzofuran-4-ylbenzonitrile
CID 146353814
4-[4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 169048828
1-[10-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)anthracen-9-yl]-9H-carbazole
CID 90433525
4-(2-methyl-1H-indol-3-yl)benzonitrile
CID 39231480

Frequently Asked Questions

What is the IUPAC name of 4-(10H-[1]benzofuro[3,2-b]indol-7-yl)benzonitrile?
The IUPAC name of 4-(10H-[1]benzofuro[3,2-b]indol-7-yl)benzonitrile (CID 118534036) is 4-(10H-[1]benzofuro[3,2-b]indol-7-yl)benzonitrile.
What is the SMILES notation for 4-(10H-[1]benzofuro[3,2-b]indol-7-yl)benzonitrile?
The canonical SMILES for 4-(10H-[1]benzofuro[3,2-b]indol-7-yl)benzonitrile is N#Cc1ccc(-c2ccc3c(c2)oc2c4ccccc4[nH]c32)cc1.
What is the InChIKey of 4-(10H-[1]benzofuro[3,2-b]indol-7-yl)benzonitrile?
The InChIKey is XFSZPFLUFRRHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2O/c22-12-13-5-7-14(8-6-13)15-9-10-17-19(11-15)24-21-16-3-1-2-4-18(16)23-20(17)21/h1-11,23H.
What are the key properties of 4-(10H-[1]benzofuro[3,2-b]indol-7-yl)benzonitrile?
4-(10H-[1]benzofuro[3,2-b]indol-7-yl)benzonitrile has a molecular weight of 308.34 g/mol, XLogP of 5.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10H-[1]benzofuro[3,2-b]indol-7-yl)benzonitrile is sourced from PubChem (CID 118534036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).