5-carbazol-9-yl-2-dibenzofuran-4-yloxybenzonitrile

C31H18N2O2 — CID 146374095

IUPAC5-carbazol-9-yl-2-dibenzofuran-4-yloxybenzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1Oc1cccc2c1oc1ccccc12
InChIInChI=1S/C31H18N2O2/c32-19-20-18-21(33-26-12-4-1-8-22(26)23-9-2-5-13-27(23)33)16-17-28(20)34-30-15-7-11-25-24-10-3-6-14-29(24)35-31(25)30/h1-18H
InChIKeyPJZOQSOKIHBMCI-UHFFFAOYSA-N
MW450.50 g/mol
LogP8.35
Rot. Bonds3

About 5-carbazol-9-yl-2-dibenzofuran-4-yloxybenzonitrile

5-carbazol-9-yl-2-dibenzofuran-4-yloxybenzonitrile (PubChem CID 146374095) has the molecular formula C31H18N2O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is 5-carbazol-9-yl-2-dibenzofuran-4-yloxybenzonitrile.

Molecular Properties

Compound Name5-carbazol-9-yl-2-dibenzofuran-4-yloxybenzonitrile
PubChem CID146374095
Molecular FormulaC31H18N2O2
Molecular Weight450.50 g/mol
Exact Mass450.14
IUPAC Name5-carbazol-9-yl-2-dibenzofuran-4-yloxybenzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1Oc1cccc2c1oc1ccccc12
InChIInChI=1S/C31H18N2O2/c32-19-20-18-21(33-26-12-4-1-8-22(26)23-9-2-5-13-27(23)33)16-17-28(20)34-30-15-7-11-25-24-10-3-6-14-29(24)35-31(25)30/h1-18H
InChIKeyPJZOQSOKIHBMCI-UHFFFAOYSA-N
XLogP8.35
TPSA51.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzofuran-2-yloxybenzonitrile
CID 146374193
3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 121324616
3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]benzonitrile
CID 129291177
5-carbazol-9-yl-2-(1-dibenzofuran-4-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 163502048
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile
CID 166987592
9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile
CID 118396693
9-(6-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile
CID 122498876
9-(6-cyanodibenzofuran-2-yl)carbazole-4-carbonitrile
CID 122501072
9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501116
9-(6-cyanodibenzofuran-2-yl)carbazole-3-carbonitrile
CID 122501059
2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139339954
2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 121328699

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-2-dibenzofuran-4-yloxybenzonitrile?
The IUPAC name of 5-carbazol-9-yl-2-dibenzofuran-4-yloxybenzonitrile (CID 146374095) is 5-carbazol-9-yl-2-dibenzofuran-4-yloxybenzonitrile.
What is the SMILES notation for 5-carbazol-9-yl-2-dibenzofuran-4-yloxybenzonitrile?
The canonical SMILES for 5-carbazol-9-yl-2-dibenzofuran-4-yloxybenzonitrile is N#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1Oc1cccc2c1oc1ccccc12.
What is the InChIKey of 5-carbazol-9-yl-2-dibenzofuran-4-yloxybenzonitrile?
The InChIKey is PJZOQSOKIHBMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N2O2/c32-19-20-18-21(33-26-12-4-1-8-22(26)23-9-2-5-13-27(23)33)16-17-28(20)34-30-15-7-11-25-24-10-3-6-14-29(24)35-31(25)30/h1-18H.
What are the key properties of 5-carbazol-9-yl-2-dibenzofuran-4-yloxybenzonitrile?
5-carbazol-9-yl-2-dibenzofuran-4-yloxybenzonitrile has a molecular weight of 450.50 g/mol, XLogP of 8.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-2-dibenzofuran-4-yloxybenzonitrile is sourced from PubChem (CID 146374095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).