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

C180H100N14O2S2 — CID 161146073

IUPAC2-[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
SMILESN#Cc1cccc(-c2cc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)ccc2C#N)c1.N#Cc1cccc(-c2cc(C#N)cc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)c1.N#Cc1cccc(-c2cccc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)c2C#N)c1
InChIInChI=1S/2C62H35N5S.C56H30N4O2/c63-36-38-14-12-15-39(32-38)42-22-13-23-43(52(42)37-64)46-29-28-41(33-57(46)67-54-25-9-5-19-45(54)50-34-51-47-20-7-11-27-59(47)68-60(51)35-58(50)67)65-55-26-10-6-21-49(55)61-56(65)31-30-48-44-18-4-8-24-53(44)66(62(48)61)40-16-2-1-3-17-40;63-36-38-13-12-14-39(31-38)50-32-40(25-26-41(50)37-64)44-28-27-43(33-57(44)67-54-22-9-5-18-46(54)51-34-52-47-19-7-11-24-59(47)68-60(52)35-58(51)67)65-55-23-10-6-20-49(55)61-56(65)30-29-48-45-17-4-8-21-53(45)66(62(48)61)42-15-2-1-3-16-42;57-31-33-10-9-11-35(26-33)36-27-34(32-58)28-37(29-36)39-21-20-38(59-46-16-5-1-14-44(46)53-48(59)24-22-42-40-12-3-7-18-51(40)61-55(42)53)30-50(39)60-47-17-6-2-15-45(47)54-49(60)25-23-43-41-13-4-8-19-52(41)62-56(43)54/h2*1-35H;1-30H
InChIKeyUOBIXZYLJHHAHJ-UHFFFAOYSA-N
MW2555.01 g/mol
LogP47.60
Rot. Bonds14

About 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

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 (PubChem CID 161146073) has the molecular formula C180H100N14O2S2 and a molecular weight of 2555.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID161146073
Molecular FormulaC180H100N14O2S2
Molecular Weight2555.01 g/mol
Exact Mass2552.76
IUPAC Name2-[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
SMILESN#Cc1cccc(-c2cc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)ccc2C#N)c1.N#Cc1cccc(-c2cc(C#N)cc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)c1.N#Cc1cccc(-c2cccc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)c2C#N)c1
InChIInChI=1S/2C62H35N5S.C56H30N4O2/c63-36-38-14-12-15-39(32-38)42-22-13-23-43(52(42)37-64)46-29-28-41(33-57(46)67-54-25-9-5-19-45(54)50-34-51-47-20-7-11-27-59(47)68-60(51)35-58(50)67)65-55-26-10-6-21-49(55)61-56(65)31-30-48-44-18-4-8-24-53(44)66(62(48)61)40-16-2-1-3-17-40;63-36-38-13-12-14-39(31-38)50-32-40(25-26-41(50)37-64)44-28-27-43(33-57(44)67-54-22-9-5-18-46(54)51-34-52-47-19-7-11-24-59(47)68-60(52)35-58(51)67)65-55-23-10-6-20-49(55)61-56(65)30-29-48-45-17-4-8-21-53(45)66(62(48)61)42-15-2-1-3-16-42;57-31-33-10-9-11-35(26-33)36-27-34(32-58)28-37(29-36)39-21-20-38(59-46-16-5-1-14-44(46)53-48(59)24-22-42-40-12-3-7-18-51(40)61-55(42)53)30-50(39)60-47-17-6-2-15-45(47)54-49(60)25-23-43-41-13-4-8-19-52(41)62-56(43)54/h2*1-35H;1-30H
InChIKeyUOBIXZYLJHHAHJ-UHFFFAOYSA-N
XLogP47.60
TPSA208.46 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002555.01
LogP ≤ 547.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

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
5-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139339793
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[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]benzothiolo[2,3-b]carbazol-7-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzene-1,3-dicarbonitrile
CID 139339915
4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(4-cyanophenyl)benzonitrile
CID 139339613
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
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
4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile
CID 139339834
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-[2-dibenzofuran-4-yl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile;3-[3-[3-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile;3-[2-dibenzothiophen-4-yl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile;3-[3-dibenzothiophen-4-yl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile;methane
CID 164981642

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cccc(-c2cc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)ccc2C#N)c1.N#Cc1cccc(-c2cc(C#N)cc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)c1.N#Cc1cccc(-c2cccc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)c2C#N)c1.
What is the InChIKey of 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?
The InChIKey is UOBIXZYLJHHAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C62H35N5S.C56H30N4O2/c63-36-38-14-12-15-39(32-38)42-22-13-23-43(52(42)37-64)46-29-28-41(33-57(46)67-54-25-9-5-19-45(54)50-34-51-47-20-7-11-27-59(47)68-60(51)35-58(50)67)65-55-26-10-6-21-49(55)61-56(65)31-30-48-44-18-4-8-24-53(44)66(62(48)61)40-16-2-1-3-17-40;63-36-38-13-12-14-39(31-38)50-32-40(25-26-41(50)37-64)44-28-27-43(33-57(44)67-54-22-9-5-18-46(54)51-34-52-47-19-7-11-24-59(47)68-60(52)35-58(51)67)65-55-23-10-6-20-49(55)61-56(65)30-29-48-45-17-4-8-21-53(45)66(62(48)61)42-15-2-1-3-16-42;57-31-33-10-9-11-35(26-33)36-27-34(32-58)28-37(29-36)39-21-20-38(59-46-16-5-1-14-44(46)53-48(59)24-22-42-40-12-3-7-18-51(40)61-55(42)53)30-50(39)60-47-17-6-2-15-45(47)54-49(60)25-23-43-41-13-4-8-19-52(41)62-56(43)54/h2*1-35H;1-30H.
What are the key properties of 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?
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 has a molecular weight of 2555.01 g/mol, XLogP of 47.60, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161146073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).