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

C161H90N10O3S2 — CID 160928649

IUPAC2-[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
SMILESN#Cc1cc(-c2cc(-c3ccc4sc5ccccc5c4c3)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc(C#N)c1-c1ccccc1.N#Cc1cc(-c2ccccc2)cc(C#N)c1-c1cc(-c2ccc3sc4ccccc4c3c2)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.N#Cc1ccccc1-c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C61H36N4O.2C50H27N3OS/c62-37-40-14-4-5-17-45(40)39-28-26-38(27-29-39)41-32-43(34-44(33-41)64-53-22-10-7-19-47(53)51-35-52-48-20-9-13-25-58(48)66-59(52)36-57(51)64)63-55-24-12-8-21-50(55)60-56(63)31-30-49-46-18-6-11-23-54(46)65(61(49)60)42-15-2-1-3-16-42;51-28-35-23-32(24-36(29-52)48(35)30-10-2-1-3-11-30)34-22-33(31-18-21-47-42(27-31)39-13-6-9-17-46(39)55-47)25-37(26-34)53-43-15-7-4-14-41(43)49-44(53)20-19-40-38-12-5-8-16-45(38)54-50(40)49;51-28-35-23-32(30-10-2-1-3-11-30)24-36(29-52)48(35)34-22-33(31-18-21-47-42(27-31)39-13-6-9-17-46(39)55-47)25-37(26-34)53-43-15-7-4-14-41(43)49-44(53)20-19-40-38-12-5-8-16-45(38)54-50(40)49/h1-36H;2*1-27H
InChIKeySSYUETLFCYSUHQ-UHFFFAOYSA-N
MW2276.69 g/mol
LogP43.67
Rot. Bonds13

About 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

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 (PubChem CID 160928649) has the molecular formula C161H90N10O3S2 and a molecular weight of 2276.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID160928649
Molecular FormulaC161H90N10O3S2
Molecular Weight2276.69 g/mol
Exact Mass2274.66
IUPAC Name2-[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
SMILESN#Cc1cc(-c2cc(-c3ccc4sc5ccccc5c4c3)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc(C#N)c1-c1ccccc1.N#Cc1cc(-c2ccccc2)cc(C#N)c1-c1cc(-c2ccc3sc4ccccc4c3c2)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.N#Cc1ccccc1-c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C61H36N4O.2C50H27N3OS/c62-37-40-14-4-5-17-45(40)39-28-26-38(27-29-39)41-32-43(34-44(33-41)64-53-22-10-7-19-47(53)51-35-52-48-20-9-13-25-58(48)66-59(52)36-57(51)64)63-55-24-12-8-21-50(55)60-56(63)31-30-49-46-18-6-11-23-54(46)65(61(49)60)42-15-2-1-3-16-42;51-28-35-23-32(24-36(29-52)48(35)30-10-2-1-3-11-30)34-22-33(31-18-21-47-42(27-31)39-13-6-9-17-46(39)55-47)25-37(26-34)53-43-15-7-4-14-41(43)49-44(53)20-19-40-38-12-5-8-16-45(38)54-50(40)49;51-28-35-23-32(30-10-2-1-3-11-30)24-36(29-52)48(35)34-22-33(31-18-21-47-42(27-31)39-13-6-9-17-46(39)55-47)25-37(26-34)53-43-15-7-4-14-41(43)49-44(53)20-19-40-38-12-5-8-16-45(38)54-50(40)49/h1-36H;2*1-27H
InChIKeySSYUETLFCYSUHQ-UHFFFAOYSA-N
XLogP43.67
TPSA183.02 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002276.69
LogP ≤ 543.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-phenylbenzene-1,3-dicarbonitrile
CID 139339961
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
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
2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 129291167
2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile
CID 139339960
2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(9-phenylcarbazol-3-yl)phenyl]benzonitrile
CID 139339701
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
12-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 158343531
2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]benzonitrile
CID 139340059
N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-4-phenylaniline;N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]phenyl]-4-phenylaniline;N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 162088152
2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzene-1,3-dicarbonitrile
CID 139339915
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cc(-c2cc(-c3ccc4sc5ccccc5c4c3)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc(C#N)c1-c1ccccc1.N#Cc1cc(-c2ccccc2)cc(C#N)c1-c1cc(-c2ccc3sc4ccccc4c3c2)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.N#Cc1ccccc1-c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1.
What is the InChIKey of 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?
The InChIKey is SSYUETLFCYSUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36N4O.2C50H27N3OS/c62-37-40-14-4-5-17-45(40)39-28-26-38(27-29-39)41-32-43(34-44(33-41)64-53-22-10-7-19-47(53)51-35-52-48-20-9-13-25-58(48)66-59(52)36-57(51)64)63-55-24-12-8-21-50(55)60-56(63)31-30-49-46-18-6-11-23-54(46)65(61(49)60)42-15-2-1-3-16-42;51-28-35-23-32(24-36(29-52)48(35)30-10-2-1-3-11-30)34-22-33(31-18-21-47-42(27-31)39-13-6-9-17-46(39)55-47)25-37(26-34)53-43-15-7-4-14-41(43)49-44(53)20-19-40-38-12-5-8-16-45(38)54-50(40)49;51-28-35-23-32(30-10-2-1-3-11-30)24-36(29-52)48(35)34-22-33(31-18-21-47-42(27-31)39-13-6-9-17-46(39)55-47)25-37(26-34)53-43-15-7-4-14-41(43)49-44(53)20-19-40-38-12-5-8-16-45(38)54-50(40)49/h1-36H;2*1-27H.
What are the key properties of 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?
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 has a molecular weight of 2276.69 g/mol, XLogP of 43.67, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160928649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).