3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-(3-cyanophenyl)benzonitrile;2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile

C162H88N12O5 — CID 158737110

IUPAC3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-(3-cyanophenyl)benzonitrile;2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3-n3c4ccccc4c4c5oc6ccccc6c5ccc43)ccc2C#N)c1.N#Cc1cccc(-c2cc(C#N)cc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3-n3c4ccccc4c4ccccc43)c2)c1.N#Cc1cccc(-c2cccc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2C#N)c1
InChIInChI=1S/2C56H30N4O2.C50H28N4O/c57-31-33-11-9-12-34(29-33)36-17-10-18-37(45(36)32-58)38-24-23-35(59-46-19-5-1-15-43(46)53-48(59)27-25-41-39-13-3-7-21-51(39)61-55(41)53)30-50(38)60-47-20-6-2-16-44(47)54-49(60)28-26-42-40-14-4-8-22-52(40)62-56(42)54;57-31-33-10-9-11-34(28-33)45-29-35(20-21-36(45)32-58)38-23-22-37(59-46-16-5-1-14-43(46)53-48(59)26-24-41-39-12-3-7-18-51(39)61-55(41)53)30-50(38)60-47-17-6-2-15-44(47)54-49(60)27-25-42-40-13-4-8-19-52(40)62-56(42)54;51-29-31-10-9-11-33(24-31)34-25-32(30-52)26-35(27-34)37-21-20-36(28-47(37)54-43-16-5-1-12-38(43)39-13-2-6-17-44(39)54)53-45-18-7-3-15-42(45)49-46(53)23-22-41-40-14-4-8-19-48(40)55-50(41)49/h2*1-30H;1-28H
InChIKeyILUXLOUGBPKUMR-UHFFFAOYSA-N
MW2282.56 g/mol
LogP42.37
Rot. Bonds12

About 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-(3-cyanophenyl)benzonitrile;2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile

3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-(3-cyanophenyl)benzonitrile;2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile (PubChem CID 158737110) has the molecular formula C162H88N12O5 and a molecular weight of 2282.56 g/mol. Its IUPAC name is 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-(3-cyanophenyl)benzonitrile;2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile.

Molecular Properties

Compound Name3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-(3-cyanophenyl)benzonitrile;2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile
PubChem CID158737110
Molecular FormulaC162H88N12O5
Molecular Weight2282.56 g/mol
Exact Mass2280.70
IUPAC Name3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-(3-cyanophenyl)benzonitrile;2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3-n3c4ccccc4c4c5oc6ccccc6c5ccc43)ccc2C#N)c1.N#Cc1cccc(-c2cc(C#N)cc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3-n3c4ccccc4c4ccccc43)c2)c1.N#Cc1cccc(-c2cccc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2C#N)c1
InChIInChI=1S/2C56H30N4O2.C50H28N4O/c57-31-33-11-9-12-34(29-33)36-17-10-18-37(45(36)32-58)38-24-23-35(59-46-19-5-1-15-43(46)53-48(59)27-25-41-39-13-3-7-21-51(39)61-55(41)53)30-50(38)60-47-20-6-2-16-44(47)54-49(60)28-26-42-40-14-4-8-22-52(40)62-56(42)54;57-31-33-10-9-11-34(28-33)45-29-35(20-21-36(45)32-58)38-23-22-37(59-46-16-5-1-14-43(46)53-48(59)26-24-41-39-12-3-7-18-51(39)61-55(41)53)30-50(38)60-47-17-6-2-15-44(47)54-49(60)27-25-42-40-13-4-8-19-52(40)62-56(42)54;51-29-31-10-9-11-33(24-31)34-25-32(30-52)26-35(27-34)37-21-20-36(28-47(37)54-43-16-5-1-12-38(43)39-13-2-6-17-44(39)54)53-45-18-7-3-15-42(45)49-46(53)23-22-41-40-14-4-8-19-48(40)55-50(41)49/h2*1-30H;1-28H
InChIKeyILUXLOUGBPKUMR-UHFFFAOYSA-N
XLogP42.37
TPSA238.02 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002282.56
LogP ≤ 542.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-(3-cyanophenyl)benzonitrile;2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile with MolForge

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Related Compounds

2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile;3-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-cyanophenyl)benzonitrile
CID 161146073
4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(4-cyanophenyl)benzonitrile
CID 139339613
4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile
CID 139339834
2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile
CID 139340001
3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile
CID 157380302
2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(9-phenylcarbazol-3-yl)phenyl]benzonitrile;4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-2-phenylbenzonitrile;3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-1-carbazol-9-ylpyridin-1-ium-2-yl]-5-(2-cyanophenyl)benzonitrile
CID 159578870
2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139339954
2-[3-[4,6-bis[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170134601
2-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]phenyl]-3-isocyanobenzonitrile
CID 153411275
2-[2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]phenyl]benzonitrile;3-[2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]phenyl]benzonitrile;2-[3-carbazol-9-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-carbazol-9-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile
CID 159371749
5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-cyanophenyl]-4-carbazol-9-ylbenzene-1,2,3-tricarbonitrile
CID 129299852
9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 139339852

Frequently Asked Questions

What is the IUPAC name of 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-(3-cyanophenyl)benzonitrile;2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile?
The IUPAC name of 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-(3-cyanophenyl)benzonitrile;2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile (CID 158737110) is 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-(3-cyanophenyl)benzonitrile;2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile.
What is the SMILES notation for 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-(3-cyanophenyl)benzonitrile;2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile?
The canonical SMILES for 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-(3-cyanophenyl)benzonitrile;2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile is N#Cc1cccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3-n3c4ccccc4c4c5oc6ccccc6c5ccc43)ccc2C#N)c1.N#Cc1cccc(-c2cc(C#N)cc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3-n3c4ccccc4c4ccccc43)c2)c1.N#Cc1cccc(-c2cccc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2C#N)c1.
What is the InChIKey of 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-(3-cyanophenyl)benzonitrile;2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile?
The InChIKey is ILUXLOUGBPKUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H30N4O2.C50H28N4O/c57-31-33-11-9-12-34(29-33)36-17-10-18-37(45(36)32-58)38-24-23-35(59-46-19-5-1-15-43(46)53-48(59)27-25-41-39-13-3-7-21-51(39)61-55(41)53)30-50(38)60-47-20-6-2-16-44(47)54-49(60)28-26-42-40-14-4-8-22-52(40)62-56(42)54;57-31-33-10-9-11-34(28-33)45-29-35(20-21-36(45)32-58)38-23-22-37(59-46-16-5-1-14-43(46)53-48(59)26-24-41-39-12-3-7-18-51(39)61-55(41)53)30-50(38)60-47-17-6-2-15-44(47)54-49(60)27-25-42-40-13-4-8-19-52(40)62-56(42)54;51-29-31-10-9-11-33(24-31)34-25-32(30-52)26-35(27-34)37-21-20-36(28-47(37)54-43-16-5-1-12-38(43)39-13-2-6-17-44(39)54)53-45-18-7-3-15-42(45)49-46(53)23-22-41-40-14-4-8-19-48(40)55-50(41)49/h2*1-30H;1-28H.
What are the key properties of 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-(3-cyanophenyl)benzonitrile;2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile?
3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-(3-cyanophenyl)benzonitrile;2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile has a molecular weight of 2282.56 g/mol, XLogP of 42.37, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-(3-cyanophenyl)benzonitrile;2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile is sourced from PubChem (CID 158737110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).