2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile

C36H19N3O — CID 153462513

IUPAC2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile
SMILES[C-]#[N+]c1ccc(C#N)c(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C36H19N3O/c1-38-26-14-10-25(21-37)33(20-26)39-31-16-13-23(18-30(31)36-27-7-3-2-6-22(27)12-17-32(36)39)24-11-15-29-28-8-4-5-9-34(28)40-35(29)19-24/h2-20H
InChIKeyQNEKJKUNJLLSHG-UHFFFAOYSA-N
MW509.57 g/mol
LogP9.93
Rot. Bonds2

About 2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile

2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile (PubChem CID 153462513) has the molecular formula C36H19N3O and a molecular weight of 509.57 g/mol. Its IUPAC name is 2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile.

Molecular Properties

Compound Name2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile
PubChem CID153462513
Molecular FormulaC36H19N3O
Molecular Weight509.57 g/mol
Exact Mass509.15
IUPAC Name2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile
SMILES[C-]#[N+]c1ccc(C#N)c(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C36H19N3O/c1-38-26-14-10-25(21-37)33(20-26)39-31-16-13-23(18-30(31)36-27-7-3-2-6-22(27)12-17-32(36)39)24-11-15-29-28-8-4-5-9-34(28)40-35(29)19-24/h2-20H
InChIKeyQNEKJKUNJLLSHG-UHFFFAOYSA-N
XLogP9.93
TPSA46.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.57
LogP ≤ 59.93
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-(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile
CID 153461833
2,5-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis(10-methylbenzo[c]carbazol-7-yl)benzonitrile;4-isocyano-2,5-bis(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzonitrile
CID 158388291
2-(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile
CID 153461878
2,4-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile
CID 153462015
2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121307193
5-benzo[c]carbazol-7-yl-2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-isocyanobenzonitrile
CID 153461922
5-isocyano-2,4-bis(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 153462263
2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328536
3,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-methanimidoylbenzonitrile
CID 121307218
2,5-bis(9-oxa-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-24-yl)benzene-1,4-dicarbonitrile
CID 121329229
3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 121324543
2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 155450671

Frequently Asked Questions

What is the IUPAC name of 2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile?
The IUPAC name of 2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile (CID 153462513) is 2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile.
What is the SMILES notation for 2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile?
The canonical SMILES for 2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile is [C-]#[N+]c1ccc(C#N)c(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4ccccc4ccc32)c1.
What is the InChIKey of 2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile?
The InChIKey is QNEKJKUNJLLSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H19N3O/c1-38-26-14-10-25(21-37)33(20-26)39-31-16-13-23(18-30(31)36-27-7-3-2-6-22(27)12-17-32(36)39)24-11-15-29-28-8-4-5-9-34(28)40-35(29)19-24/h2-20H.
What are the key properties of 2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile?
2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile has a molecular weight of 509.57 g/mol, XLogP of 9.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile is sourced from PubChem (CID 153462513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).