3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)quinazolin-4-yl]benzonitrile

C33H18N4O — CID 126591186

IUPAC3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)quinazolin-4-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)nc3ccccc23)c1
InChIInChI=1S/C33H18N4O/c34-19-20-8-7-9-21(16-20)32-24-12-1-4-13-27(24)35-33(36-32)37-28-14-5-2-10-22(28)25-18-31-26(17-29(25)37)23-11-3-6-15-30(23)38-31/h1-18H
InChIKeyLKTLWQJNNIOYFN-UHFFFAOYSA-N
MW486.53 g/mol
LogP8.16
Rot. Bonds2

About 3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)quinazolin-4-yl]benzonitrile

3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)quinazolin-4-yl]benzonitrile (PubChem CID 126591186) has the molecular formula C33H18N4O and a molecular weight of 486.53 g/mol. Its IUPAC name is 3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)quinazolin-4-yl]benzonitrile.

Molecular Properties

Compound Name3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)quinazolin-4-yl]benzonitrile
PubChem CID126591186
Molecular FormulaC33H18N4O
Molecular Weight486.53 g/mol
Exact Mass486.15
IUPAC Name3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)quinazolin-4-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)nc3ccccc23)c1
InChIInChI=1S/C33H18N4O/c34-19-20-8-7-9-21(16-20)32-24-12-1-4-13-27(24)35-33(36-32)37-28-14-5-2-10-22(28)25-18-31-26(17-29(25)37)23-11-3-6-15-30(23)38-31/h1-18H
InChIKeyLKTLWQJNNIOYFN-UHFFFAOYSA-N
XLogP8.16
TPSA67.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.53
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

15-phenyl-11-(4-phenylquinazolin-2-yl)-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 129141891
3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 129225847
15-phenyl-19-(4-phenylquinazolin-2-yl)-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 129142011
3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile
CID 140922255
2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211
11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 126580313
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile
CID 139340044
3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 144596106
10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375631
3-[4-carbazol-9-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile
CID 155358006
3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 126591179

Frequently Asked Questions

What is the IUPAC name of 3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)quinazolin-4-yl]benzonitrile?
The IUPAC name of 3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)quinazolin-4-yl]benzonitrile (CID 126591186) is 3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)quinazolin-4-yl]benzonitrile.
What is the SMILES notation for 3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)quinazolin-4-yl]benzonitrile?
The canonical SMILES for 3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)quinazolin-4-yl]benzonitrile is N#Cc1cccc(-c2nc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)nc3ccccc23)c1.
What is the InChIKey of 3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)quinazolin-4-yl]benzonitrile?
The InChIKey is LKTLWQJNNIOYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18N4O/c34-19-20-8-7-9-21(16-20)32-24-12-1-4-13-27(24)35-33(36-32)37-28-14-5-2-10-22(28)25-18-31-26(17-29(25)37)23-11-3-6-15-30(23)38-31/h1-18H.
What are the key properties of 3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)quinazolin-4-yl]benzonitrile?
3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)quinazolin-4-yl]benzonitrile has a molecular weight of 486.53 g/mol, XLogP of 8.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)quinazolin-4-yl]benzonitrile is sourced from PubChem (CID 126591186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).