2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile

C50H26N4O2 — CID 129291160

IUPAC2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(C#N)c2)cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1
InChIInChI=1S/C50H26N4O2/c51-27-29-23-31(26-33(24-29)53-42-13-5-1-10-35(42)38-18-19-39-36-11-3-7-15-44(36)56-50(39)49(38)53)30-17-21-41(32(25-30)28-52)54-43-14-6-2-9-34(43)37-20-22-46-47(48(37)54)40-12-4-8-16-45(40)55-46/h1-26H
InChIKeySOBRDHZMLDANLS-UHFFFAOYSA-N
MW714.78 g/mol
LogP13.09
Rot. Bonds3

About 2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile

2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile (PubChem CID 129291160) has the molecular formula C50H26N4O2 and a molecular weight of 714.78 g/mol. Its IUPAC name is 2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile.

Molecular Properties

Compound Name2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile
PubChem CID129291160
Molecular FormulaC50H26N4O2
Molecular Weight714.78 g/mol
Exact Mass714.21
IUPAC Name2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(C#N)c2)cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1
InChIInChI=1S/C50H26N4O2/c51-27-29-23-31(26-33(24-29)53-42-13-5-1-10-35(42)38-18-19-39-36-11-3-7-15-44(36)56-50(39)49(38)53)30-17-21-41(32(25-30)28-52)54-43-14-6-2-9-34(43)37-20-22-46-47(48(37)54)40-12-4-8-16-45(40)55-46/h1-26H
InChIKeySOBRDHZMLDANLS-UHFFFAOYSA-N
XLogP13.09
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.78
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile
CID 164730398
5-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
CID 129290853
3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile
CID 129290927
2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile
CID 129300362
3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-(1-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 129291271
3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(4-carbazol-9-ylphenyl)benzonitrile;3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(4-carbazol-9-ylphenyl)benzonitrile;3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(4-carbazol-9-ylphenyl)benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4-carbazol-9-ylphenyl)benzonitrile;3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[4-(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 157319826
3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(4-carbazol-9-ylphenyl)benzonitrile;3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(4-carbazol-9-ylphenyl)benzonitrile;3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(4-carbazol-9-ylphenyl)benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4-carbazol-9-ylphenyl)benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4-carbazol-9-ylphenyl)benzonitrile;3-(4-carbazol-9-ylphenyl)-5-(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)benzonitrile
CID 165076473
3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-cyanophenyl]-2-carbazol-9-ylbenzonitrile
CID 129300177
3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-(9-fluoro-[1]benzofuro[3,2-a]carbazol-12-yl)benzonitrile
CID 164730338
2-carbazol-9-yl-4-[3-cyano-5-(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 129299811
3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
CID 129299824
5-(3-cyanophenyl)-2-[27-(3-cyanophenyl)-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-18-yl]benzonitrile
CID 170051908

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile?
The IUPAC name of 2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile (CID 129291160) is 2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile.
What is the SMILES notation for 2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile?
The canonical SMILES for 2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile is N#Cc1cc(-c2ccc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(C#N)c2)cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1.
What is the InChIKey of 2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile?
The InChIKey is SOBRDHZMLDANLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H26N4O2/c51-27-29-23-31(26-33(24-29)53-42-13-5-1-10-35(42)38-18-19-39-36-11-3-7-15-44(36)56-50(39)49(38)53)30-17-21-41(32(25-30)28-52)54-43-14-6-2-9-34(43)37-20-22-46-47(48(37)54)40-12-4-8-16-45(40)55-46/h1-26H.
What are the key properties of 2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile?
2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile has a molecular weight of 714.78 g/mol, XLogP of 13.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile is sourced from PubChem (CID 129291160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).