6-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile;3-[3-dibenzofuran-3-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;4-[3-dibenzofuran-3-yl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]benzonitrile

C142H81N9O3S — CID 159607761

IUPAC6-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile;3-[3-dibenzofuran-3-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;4-[3-dibenzofuran-3-yl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c2)cc1.N#Cc1ccc2sc3c(-c4cc(-c5ccccc5C#N)cc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)c4)cccc3c2c1.N#Cc1cccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)c1
InChIInChI=1S/2C49H29N3O.C44H23N3OS/c50-30-31-11-10-12-32(25-31)34-26-35(33-21-22-41-40-17-6-9-20-46(40)53-47(41)29-33)28-37(27-34)52-45-19-8-5-16-39(45)43-24-23-42-38-15-4-7-18-44(38)51(48(42)49(43)52)36-13-2-1-3-14-36;50-30-31-18-20-32(21-19-31)34-24-35(33-22-23-41-40-14-6-9-17-48(40)53-49(41)27-33)26-37(25-34)52-45-16-8-5-13-39(45)43-28-46-42(29-47(43)52)38-12-4-7-15-44(38)51(46)36-10-2-1-3-11-36;45-24-26-16-19-41-37(20-26)35-13-7-12-32(44(35)49-41)29-21-28(31-9-2-1-8-27(31)25-46)22-30(23-29)47-38-14-5-3-11-36(38)42-39(47)18-17-34-33-10-4-6-15-40(33)48-43(34)42/h2*1-29H;1-23H
InChIKeyMMHJGCVJSNRICA-UHFFFAOYSA-N
MW1993.34 g/mol
LogP38.10
Rot. Bonds11

About 6-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile;3-[3-dibenzofuran-3-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;4-[3-dibenzofuran-3-yl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]benzonitrile

6-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile;3-[3-dibenzofuran-3-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;4-[3-dibenzofuran-3-yl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]benzonitrile (PubChem CID 159607761) has the molecular formula C142H81N9O3S and a molecular weight of 1993.34 g/mol. Its IUPAC name is 6-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile;3-[3-dibenzofuran-3-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;4-[3-dibenzofuran-3-yl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name6-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile;3-[3-dibenzofuran-3-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;4-[3-dibenzofuran-3-yl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]benzonitrile
PubChem CID159607761
Molecular FormulaC142H81N9O3S
Molecular Weight1993.34 g/mol
Exact Mass1991.62
IUPAC Name6-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile;3-[3-dibenzofuran-3-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;4-[3-dibenzofuran-3-yl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c2)cc1.N#Cc1ccc2sc3c(-c4cc(-c5ccccc5C#N)cc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)c4)cccc3c2c1.N#Cc1cccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)c1
InChIInChI=1S/2C49H29N3O.C44H23N3OS/c50-30-31-11-10-12-32(25-31)34-26-35(33-21-22-41-40-17-6-9-20-46(40)53-47(41)29-33)28-37(27-34)52-45-19-8-5-16-39(45)43-24-23-42-38-15-4-7-18-44(38)51(48(42)49(43)52)36-13-2-1-3-14-36;50-30-31-18-20-32(21-19-31)34-24-35(33-22-23-41-40-14-6-9-17-48(40)53-49(41)27-33)26-37(25-34)52-45-16-8-5-13-39(45)43-28-46-42(29-47(43)52)38-12-4-7-15-44(38)51(46)36-10-2-1-3-11-36;45-24-26-16-19-41-37(20-26)35-13-7-12-32(44(35)49-41)29-21-28(31-9-2-1-8-27(31)25-46)22-30(23-29)47-38-14-5-3-11-36(38)42-39(47)18-17-34-33-10-4-6-15-40(33)48-43(34)42/h2*1-29H;1-23H
InChIKeyMMHJGCVJSNRICA-UHFFFAOYSA-N
XLogP38.10
TPSA159.23 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001993.34
LogP ≤ 538.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 6-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile;3-[3-dibenzofuran-3-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;4-[3-dibenzofuran-3-yl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]benzonitrile with MolForge

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Related Compounds

6-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile
CID 139339988
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
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-[4-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile;2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-dibenzothiophen-2-ylphenyl]-5-phenylbenzene-1,3-dicarbonitrile;5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-dibenzothiophen-2-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile
CID 160928649
9-[3-[3-(2-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3-carbonitrile;9-[3-[3-(3-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3-carbonitrile;9-[3-[3-(4-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3-carbonitrile
CID 158987615
9-[3-(4-cyanophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile;9-[3-(2-cyanophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(3-cyanophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 159419725
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
3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-([1]benzothiolo[2,3-a]carbazol-12-yl)benzonitrile
CID 177276929
9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)carbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)carbazole;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 158836336
9-(8-dibenzofuran-1-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(8-dibenzofuran-3-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzofuran-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 158620921
2-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-phenylbenzene-1,3-dicarbonitrile;2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-dibenzofuran-2-ylphenyl]-4-(4-cyanophenyl)benzonitrile;2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-dibenzofuran-2-ylphenyl]phenyl]benzene-1,3-dicarbonitrile
CID 159299264
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 6-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile;3-[3-dibenzofuran-3-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;4-[3-dibenzofuran-3-yl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]benzonitrile?
The IUPAC name of 6-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile;3-[3-dibenzofuran-3-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;4-[3-dibenzofuran-3-yl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]benzonitrile (CID 159607761) is 6-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile;3-[3-dibenzofuran-3-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;4-[3-dibenzofuran-3-yl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]benzonitrile.
What is the SMILES notation for 6-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile;3-[3-dibenzofuran-3-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;4-[3-dibenzofuran-3-yl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]benzonitrile?
The canonical SMILES for 6-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile;3-[3-dibenzofuran-3-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;4-[3-dibenzofuran-3-yl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]benzonitrile is N#Cc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c2)cc1.N#Cc1ccc2sc3c(-c4cc(-c5ccccc5C#N)cc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)c4)cccc3c2c1.N#Cc1cccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)c1.
What is the InChIKey of 6-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile;3-[3-dibenzofuran-3-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;4-[3-dibenzofuran-3-yl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]benzonitrile?
The InChIKey is MMHJGCVJSNRICA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H29N3O.C44H23N3OS/c50-30-31-11-10-12-32(25-31)34-26-35(33-21-22-41-40-17-6-9-20-46(40)53-47(41)29-33)28-37(27-34)52-45-19-8-5-16-39(45)43-24-23-42-38-15-4-7-18-44(38)51(48(42)49(43)52)36-13-2-1-3-14-36;50-30-31-18-20-32(21-19-31)34-24-35(33-22-23-41-40-14-6-9-17-48(40)53-49(41)27-33)26-37(25-34)52-45-16-8-5-13-39(45)43-28-46-42(29-47(43)52)38-12-4-7-15-44(38)51(46)36-10-2-1-3-11-36;45-24-26-16-19-41-37(20-26)35-13-7-12-32(44(35)49-41)29-21-28(31-9-2-1-8-27(31)25-46)22-30(23-29)47-38-14-5-3-11-36(38)42-39(47)18-17-34-33-10-4-6-15-40(33)48-43(34)42/h2*1-29H;1-23H.
What are the key properties of 6-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile;3-[3-dibenzofuran-3-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;4-[3-dibenzofuran-3-yl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]benzonitrile?
6-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile;3-[3-dibenzofuran-3-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;4-[3-dibenzofuran-3-yl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]benzonitrile has a molecular weight of 1993.34 g/mol, XLogP of 38.10, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile;3-[3-dibenzofuran-3-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;4-[3-dibenzofuran-3-yl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]benzonitrile is sourced from PubChem (CID 159607761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).