4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile

C37H20N2O2 — CID 126577754

IUPAC4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C37H20N2O2/c38-21-22-13-16-31(28(19-22)23-14-17-34-29(20-23)25-8-2-5-11-32(25)40-34)39-30-10-4-1-7-24(30)26-15-18-35-36(37(26)39)27-9-3-6-12-33(27)41-35/h1-20H
InChIKeyCPXNFGPHDRUZAV-UHFFFAOYSA-N
MW524.58 g/mol
LogP10.12
Rot. Bonds2

About 4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile

4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile (PubChem CID 126577754) has the molecular formula C37H20N2O2 and a molecular weight of 524.58 g/mol. Its IUPAC name is 4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile.

Molecular Properties

Compound Name4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile
PubChem CID126577754
Molecular FormulaC37H20N2O2
Molecular Weight524.58 g/mol
Exact Mass524.15
IUPAC Name4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C37H20N2O2/c38-21-22-13-16-31(28(19-22)23-14-17-34-29(20-23)25-8-2-5-11-32(25)40-34)39-30-10-4-1-7-24(30)26-15-18-35-36(37(26)39)27-9-3-6-12-33(27)41-35/h1-20H
InChIKeyCPXNFGPHDRUZAV-UHFFFAOYSA-N
XLogP10.12
TPSA55.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile
CID 167006192
4-(2-methyl-1,2-dihydrocarbazol-9-yl)-3-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)benzonitrile
CID 139565983
3-(2-carbazol-9-yl-5-cyanophenyl)-4-(10-methyl-10,11-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)benzonitrile
CID 155299843
4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile
CID 129300231
3-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]-4-carbazol-9-ylbenzonitrile
CID 129300202
18-(2-carbazol-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-6-carbonitrile
CID 126582417
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149138143
3-[2,4-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-(trifluoromethyl)phenyl]benzonitrile
CID 142465870
2-carbazol-9-yl-3-dibenzofuran-2-ylbenzonitrile;3-carbazol-9-yl-2-dibenzofuran-2-ylbenzonitrile;3-carbazol-9-yl-4-dibenzofuran-2-ylbenzonitrile;4-carbazol-9-yl-3-dibenzofuran-2-ylbenzonitrile
CID 158041549
2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile
CID 164730398
9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 126582483
9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile
CID 147486433

Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile?
The IUPAC name of 4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile (CID 126577754) is 4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile.
What is the SMILES notation for 4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile?
The canonical SMILES for 4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile is N#Cc1ccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile?
The InChIKey is CPXNFGPHDRUZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20N2O2/c38-21-22-13-16-31(28(19-22)23-14-17-34-29(20-23)25-8-2-5-11-32(25)40-34)39-30-10-4-1-7-24(30)26-15-18-35-36(37(26)39)27-9-3-6-12-33(27)41-35/h1-20H.
What are the key properties of 4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile?
4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile has a molecular weight of 524.58 g/mol, XLogP of 10.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile is sourced from PubChem (CID 126577754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).