8-[2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]dibenzofuran-4-carbonitrile

C31H22N2O — CID 170382424

IUPAC8-[2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]dibenzofuran-4-carbonitrile
SMILESC/C=C\c1c(C)c2ccccc2n1-c1ccccc1-c1ccc2oc3c(C#N)cccc3c2c1
InChIInChI=1S/C31H22N2O/c1-3-9-27-20(2)23-11-4-6-14-28(23)33(27)29-15-7-5-12-24(29)21-16-17-30-26(18-21)25-13-8-10-22(19-32)31(25)34-30/h3-18H,1-2H3/b9-3-
InChIKeyXQOWQCFKVJATCO-OQFOIZHKSA-N
MW438.53 g/mol
LogP8.41
Rot. Bonds3

About 8-[2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]dibenzofuran-4-carbonitrile

8-[2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]dibenzofuran-4-carbonitrile (PubChem CID 170382424) has the molecular formula C31H22N2O and a molecular weight of 438.53 g/mol. Its IUPAC name is 8-[2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]dibenzofuran-4-carbonitrile.

Molecular Properties

Compound Name8-[2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]dibenzofuran-4-carbonitrile
PubChem CID170382424
Molecular FormulaC31H22N2O
Molecular Weight438.53 g/mol
Exact Mass438.17
IUPAC Name8-[2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]dibenzofuran-4-carbonitrile
SMILESC/C=C\c1c(C)c2ccccc2n1-c1ccccc1-c1ccc2oc3c(C#N)cccc3c2c1
InChIInChI=1S/C31H22N2O/c1-3-9-27-20(2)23-11-4-6-14-28(23)33(27)29-15-7-5-12-24(29)21-16-17-30-26(18-21)25-13-8-10-22(19-32)31(25)34-30/h3-18H,1-2H3/b9-3-
InChIKeyXQOWQCFKVJATCO-OQFOIZHKSA-N
XLogP8.41
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-2-yl]benzonitrile
CID 122552677
3-(4-carbazol-9-yl-3-cyanophenyl)-2-[6-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-2,4-dien-1-yl]benzonitrile
CID 167280093
9-(6-cyanodibenzofuran-2-yl)carbazole-4-carbonitrile
CID 122501072
9-(6-cyanodibenzofuran-2-yl)carbazole-3-carbonitrile
CID 122501059
9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501116
4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)-3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]benzonitrile
CID 126596359
2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 129291049
12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 171612094
18-(2-carbazol-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-6-carbonitrile
CID 126582417
6-carbazol-9-yl-2-dibenzofuran-4-yldibenzofuran-4-carbonitrile
CID 147298764
6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile
CID 167006192
2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)benzonitrile
CID 126577673

Frequently Asked Questions

What is the IUPAC name of 8-[2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]dibenzofuran-4-carbonitrile?
The IUPAC name of 8-[2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]dibenzofuran-4-carbonitrile (CID 170382424) is 8-[2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]dibenzofuran-4-carbonitrile.
What is the SMILES notation for 8-[2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]dibenzofuran-4-carbonitrile?
The canonical SMILES for 8-[2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]dibenzofuran-4-carbonitrile is C/C=C\c1c(C)c2ccccc2n1-c1ccccc1-c1ccc2oc3c(C#N)cccc3c2c1.
What is the InChIKey of 8-[2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]dibenzofuran-4-carbonitrile?
The InChIKey is XQOWQCFKVJATCO-OQFOIZHKSA-N. The full InChI is InChI=1S/C31H22N2O/c1-3-9-27-20(2)23-11-4-6-14-28(23)33(27)29-15-7-5-12-24(29)21-16-17-30-26(18-21)25-13-8-10-22(19-32)31(25)34-30/h3-18H,1-2H3/b9-3-.
What are the key properties of 8-[2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]dibenzofuran-4-carbonitrile?
8-[2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]dibenzofuran-4-carbonitrile has a molecular weight of 438.53 g/mol, XLogP of 8.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]dibenzofuran-4-carbonitrile is sourced from PubChem (CID 170382424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).