9-[3-(8-isocyanodibenzofuran-2-yl)phenyl]pyrido[2,3-b]indole-3,6-dicarbonitrile

C32H15N5O — CID 140711961

IUPAC9-[3-(8-isocyanodibenzofuran-2-yl)phenyl]pyrido[2,3-b]indole-3,6-dicarbonitrile
SMILES[C-]#[N+]c1ccc2oc3ccc(-c4cccc(-n5c6ccc(C#N)cc6c6cc(C#N)cnc65)c4)cc3c2c1
InChIInChI=1S/C32H15N5O/c1-35-23-7-10-31-27(15-23)26-14-22(6-9-30(26)38-31)21-3-2-4-24(13-21)37-29-8-5-19(16-33)11-25(29)28-12-20(17-34)18-36-32(28)37/h2-15,18H
InChIKeyCRZTXZNGNOKMIY-UHFFFAOYSA-N
MW485.51 g/mol
LogP8.04
Rot. Bonds2

About 9-[3-(8-isocyanodibenzofuran-2-yl)phenyl]pyrido[2,3-b]indole-3,6-dicarbonitrile

9-[3-(8-isocyanodibenzofuran-2-yl)phenyl]pyrido[2,3-b]indole-3,6-dicarbonitrile (PubChem CID 140711961) has the molecular formula C32H15N5O and a molecular weight of 485.51 g/mol. Its IUPAC name is 9-[3-(8-isocyanodibenzofuran-2-yl)phenyl]pyrido[2,3-b]indole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[3-(8-isocyanodibenzofuran-2-yl)phenyl]pyrido[2,3-b]indole-3,6-dicarbonitrile
PubChem CID140711961
Molecular FormulaC32H15N5O
Molecular Weight485.51 g/mol
Exact Mass485.13
IUPAC Name9-[3-(8-isocyanodibenzofuran-2-yl)phenyl]pyrido[2,3-b]indole-3,6-dicarbonitrile
SMILES[C-]#[N+]c1ccc2oc3ccc(-c4cccc(-n5c6ccc(C#N)cc6c6cc(C#N)cnc65)c4)cc3c2c1
InChIInChI=1S/C32H15N5O/c1-35-23-7-10-31-27(15-23)26-14-22(6-9-30(26)38-31)21-3-2-4-24(13-21)37-29-8-5-19(16-33)11-25(29)28-12-20(17-34)18-36-32(28)37/h2-15,18H
InChIKeyCRZTXZNGNOKMIY-UHFFFAOYSA-N
XLogP8.04
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.51
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3-carbonitrile;6-isocyano-9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile;9-[6-(6-isocyanopyrido[2,3-b]indol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;9-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
CID 161272686
9-[3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140775511
9-[3-[3-(9-isocyano-[1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140822721
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
9-[3-[3-(2-isocyano-11-phenylindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140823063
9-[8-(3-isocyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-(2-pyridin-2-ylphenyl)-9-[3-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 159338990
9-[8-(2-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 140822958
8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
CID 135136147
9-[8-(3-cyano-6-isocyanocarbazol-9-yl)dibenzofuran-2-yl]-6-methylcarbazole-3-carbonitrile
CID 162022797
9-[9-[3-(4-isocyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 140760238
3-[3-[2-[3-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]phenyl]benzonitrile
CID 140760373
6-(6-isocyano-9-phenylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 177077363

Frequently Asked Questions

What is the IUPAC name of 9-[3-(8-isocyanodibenzofuran-2-yl)phenyl]pyrido[2,3-b]indole-3,6-dicarbonitrile?
The IUPAC name of 9-[3-(8-isocyanodibenzofuran-2-yl)phenyl]pyrido[2,3-b]indole-3,6-dicarbonitrile (CID 140711961) is 9-[3-(8-isocyanodibenzofuran-2-yl)phenyl]pyrido[2,3-b]indole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[3-(8-isocyanodibenzofuran-2-yl)phenyl]pyrido[2,3-b]indole-3,6-dicarbonitrile?
The canonical SMILES for 9-[3-(8-isocyanodibenzofuran-2-yl)phenyl]pyrido[2,3-b]indole-3,6-dicarbonitrile is [C-]#[N+]c1ccc2oc3ccc(-c4cccc(-n5c6ccc(C#N)cc6c6cc(C#N)cnc65)c4)cc3c2c1.
What is the InChIKey of 9-[3-(8-isocyanodibenzofuran-2-yl)phenyl]pyrido[2,3-b]indole-3,6-dicarbonitrile?
The InChIKey is CRZTXZNGNOKMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H15N5O/c1-35-23-7-10-31-27(15-23)26-14-22(6-9-30(26)38-31)21-3-2-4-24(13-21)37-29-8-5-19(16-33)11-25(29)28-12-20(17-34)18-36-32(28)37/h2-15,18H.
What are the key properties of 9-[3-(8-isocyanodibenzofuran-2-yl)phenyl]pyrido[2,3-b]indole-3,6-dicarbonitrile?
9-[3-(8-isocyanodibenzofuran-2-yl)phenyl]pyrido[2,3-b]indole-3,6-dicarbonitrile has a molecular weight of 485.51 g/mol, XLogP of 8.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(8-isocyanodibenzofuran-2-yl)phenyl]pyrido[2,3-b]indole-3,6-dicarbonitrile is sourced from PubChem (CID 140711961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).