2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile

C26H13N3O — CID 153461916

IUPAC2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile
SMILES[C-]#[N+]c1cccc(C#N)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C26H13N3O/c1-28-20-10-6-7-16(15-27)25(20)29-21-11-4-2-9-19(21)24-22(29)14-13-18-17-8-3-5-12-23(17)30-26(18)24/h2-14H
InChIKeyRUHROIDNHWIMNL-UHFFFAOYSA-N
MW383.41 g/mol
LogP7.11
Rot. Bonds1

About 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile

2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile (PubChem CID 153461916) has the molecular formula C26H13N3O and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile.

Molecular Properties

Compound Name2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile
PubChem CID153461916
Molecular FormulaC26H13N3O
Molecular Weight383.41 g/mol
Exact Mass383.11
IUPAC Name2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile
SMILES[C-]#[N+]c1cccc(C#N)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C26H13N3O/c1-28-20-10-6-7-16(15-27)25(20)29-21-11-4-2-9-19(21)24-22(29)14-13-18-17-8-3-5-12-23(17)30-26(18)24/h2-14H
InChIKeyRUHROIDNHWIMNL-UHFFFAOYSA-N
XLogP7.11
TPSA46.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.41
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile
CID 153461927
2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile
CID 153462675
5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3-carbazol-9-ylcarbazol-9-yl)-3-isocyanobenzonitrile
CID 153462582
2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-isocyano-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]benzonitrile
CID 140794233
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]benzonitrile
CID 140794058
2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-isocyanophenyl]benzonitrile
CID 140794021
2,3-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile
CID 153461992
3,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,5-di(carbazol-9-yl)-6-isocyanobenzonitrile
CID 156680049
5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 140794299
2-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]phenyl]-3-isocyanobenzonitrile
CID 153411275
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile
CID 166987592
5-isocyano-2,4-bis(2-methyl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-phenylbenzonitrile
CID 168824359

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile?
The IUPAC name of 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile (CID 153461916) is 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile.
What is the SMILES notation for 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile?
The canonical SMILES for 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile is [C-]#[N+]c1cccc(C#N)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.
What is the InChIKey of 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile?
The InChIKey is RUHROIDNHWIMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H13N3O/c1-28-20-10-6-7-16(15-27)25(20)29-21-11-4-2-9-19(21)24-22(29)14-13-18-17-8-3-5-12-23(17)30-26(18)24/h2-14H.
What are the key properties of 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile?
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile has a molecular weight of 383.41 g/mol, XLogP of 7.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile is sourced from PubChem (CID 153461916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).