9-(6-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile

C26H13N3O — CID 122498876

IUPAC9-(6-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile
SMILESN#Cc1cccc2c1oc1ccc(-n3c4ccccc4c4cccc(C#N)c43)cc12
InChIInChI=1S/C26H13N3O/c27-14-16-5-3-8-20-19-7-1-2-10-23(19)29(25(16)20)18-11-12-24-22(13-18)21-9-4-6-17(15-28)26(21)30-24/h1-13H
InChIKeyMRZOMZIJZPHILQ-UHFFFAOYSA-N
MW383.41 g/mol
LogP6.43
Rot. Bonds1

About 9-(6-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile

9-(6-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile (PubChem CID 122498876) has the molecular formula C26H13N3O and a molecular weight of 383.41 g/mol. Its IUPAC name is 9-(6-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-(6-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile
PubChem CID122498876
Molecular FormulaC26H13N3O
Molecular Weight383.41 g/mol
Exact Mass383.11
IUPAC Name9-(6-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile
SMILESN#Cc1cccc2c1oc1ccc(-n3c4ccccc4c4cccc(C#N)c43)cc12
InChIInChI=1S/C26H13N3O/c27-14-16-5-3-8-20-19-7-1-2-10-23(19)29(25(16)20)18-11-12-24-22(13-18)21-9-4-6-17(15-28)26(21)30-24/h1-13H
InChIKeyMRZOMZIJZPHILQ-UHFFFAOYSA-N
XLogP6.43
TPSA65.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.41
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(6-cyanodibenzofuran-2-yl)carbazole-4-carbonitrile
CID 122501072
9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile
CID 118396693
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
9-(16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147402
3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]benzonitrile
CID 129291177
9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile
CID 122501128
12,18-di(dibenzofuran-2-yl)-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121286461
9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile
CID 122501086
12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 122548582
2-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-2-yl]benzonitrile
CID 122552677
5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598060

Frequently Asked Questions

What is the IUPAC name of 9-(6-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile?
The IUPAC name of 9-(6-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile (CID 122498876) is 9-(6-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile.
What is the SMILES notation for 9-(6-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile?
The canonical SMILES for 9-(6-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile is N#Cc1cccc2c1oc1ccc(-n3c4ccccc4c4cccc(C#N)c43)cc12.
What is the InChIKey of 9-(6-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile?
The InChIKey is MRZOMZIJZPHILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H13N3O/c27-14-16-5-3-8-20-19-7-1-2-10-23(19)29(25(16)20)18-11-12-24-22(13-18)21-9-4-6-17(15-28)26(21)30-24/h1-13H.
What are the key properties of 9-(6-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile?
9-(6-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile has a molecular weight of 383.41 g/mol, XLogP of 6.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile is sourced from PubChem (CID 122498876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).