3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile;3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,4,6-tris(2-cyanophenyl)benzonitrile;2,4,6-tri(dibenzothiophen-4-yl)-3-[2-(1,1-difluoroethyl)-9H-fluoren-9-yl]-5-[2-(trifluoromethyl)carbazol-9-yl]benzonitrile

C199H103F5N14O4S3 — CID 160546593

IUPAC3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile;3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,4,6-tris(2-cyanophenyl)benzonitrile;2,4,6-tri(dibenzothiophen-4-yl)-3-[2-(1,1-difluoroethyl)-9H-fluoren-9-yl]-5-[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
SMILESCC(F)(F)c1ccc2c(c1)C(c1c(-c3cccc4c3sc3ccccc34)c(C#N)c(-c3cccc4c3sc3ccccc34)c(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c1-c1cccc3c1sc1ccccc13)c1ccccc1-2.N#Cc1ccc(-c2c(C#N)c(-c3ccc(C#N)cc3)c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(-c3ccc(C#N)cc3)c2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc1.N#Cc1ccccc1-c1c(C#N)c(-c2ccccc2C#N)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2ccccc2C#N)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C71H39F5N2S3.2C64H32N6O2/c1-70(72,73)38-31-33-41-40-15-2-3-20-47(40)61(54(41)35-38)65-62(51-24-12-21-48-44-17-5-9-28-58(44)79-67(48)51)55(37-77)63(52-25-13-22-49-45-18-6-10-29-59(45)80-68(49)52)66(64(65)53-26-14-23-50-46-19-7-11-30-60(46)81-69(50)53)78-56-27-8-4-16-42(56)43-34-32-39(36-57(43)78)71(74,75)76;65-33-37-17-23-40(24-18-37)56-49(36-68)57(41-25-19-38(34-66)20-26-41)64(70-51-14-6-2-10-44(51)46-30-32-55-60(62(46)70)48-12-4-8-16-53(48)72-55)58(42-27-21-39(35-67)22-28-42)63(56)69-50-13-5-1-9-43(50)45-29-31-54-59(61(45)69)47-11-3-7-15-52(47)71-54;65-33-37-15-1-4-18-40(37)56-49(36-68)57(41-19-5-2-16-38(41)34-66)62(70-51-26-12-8-24-48(51)59-53(70)32-30-46-44-22-10-14-28-55(44)72-64(46)59)60(42-20-6-3-17-39(42)35-67)61(56)69-50-25-11-7-23-47(50)58-52(69)31-29-45-43-21-9-13-27-54(43)71-63(45)58/h2-36,61H,1H3;2*1-32H
InChIKeyQXMYHMYXOCIVOD-UHFFFAOYSA-N
MW2945.30 g/mol
LogP54.39
Rot. Bonds16

About 3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile;3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,4,6-tris(2-cyanophenyl)benzonitrile;2,4,6-tri(dibenzothiophen-4-yl)-3-[2-(1,1-difluoroethyl)-9H-fluoren-9-yl]-5-[2-(trifluoromethyl)carbazol-9-yl]benzonitrile

3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile;3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,4,6-tris(2-cyanophenyl)benzonitrile;2,4,6-tri(dibenzothiophen-4-yl)-3-[2-(1,1-difluoroethyl)-9H-fluoren-9-yl]-5-[2-(trifluoromethyl)carbazol-9-yl]benzonitrile (PubChem CID 160546593) has the molecular formula C199H103F5N14O4S3 and a molecular weight of 2945.30 g/mol. Its IUPAC name is 3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile;3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,4,6-tris(2-cyanophenyl)benzonitrile;2,4,6-tri(dibenzothiophen-4-yl)-3-[2-(1,1-difluoroethyl)-9H-fluoren-9-yl]-5-[2-(trifluoromethyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile;3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,4,6-tris(2-cyanophenyl)benzonitrile;2,4,6-tri(dibenzothiophen-4-yl)-3-[2-(1,1-difluoroethyl)-9H-fluoren-9-yl]-5-[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
PubChem CID160546593
Molecular FormulaC199H103F5N14O4S3
Molecular Weight2945.30 g/mol
Exact Mass2942.74
IUPAC Name3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile;3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,4,6-tris(2-cyanophenyl)benzonitrile;2,4,6-tri(dibenzothiophen-4-yl)-3-[2-(1,1-difluoroethyl)-9H-fluoren-9-yl]-5-[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
SMILESCC(F)(F)c1ccc2c(c1)C(c1c(-c3cccc4c3sc3ccccc34)c(C#N)c(-c3cccc4c3sc3ccccc34)c(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c1-c1cccc3c1sc1ccccc13)c1ccccc1-2.N#Cc1ccc(-c2c(C#N)c(-c3ccc(C#N)cc3)c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(-c3ccc(C#N)cc3)c2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc1.N#Cc1ccccc1-c1c(C#N)c(-c2ccccc2C#N)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2ccccc2C#N)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C71H39F5N2S3.2C64H32N6O2/c1-70(72,73)38-31-33-41-40-15-2-3-20-47(40)61(54(41)35-38)65-62(51-24-12-21-48-44-17-5-9-28-58(44)79-67(48)51)55(37-77)63(52-25-13-22-49-45-18-6-10-29-59(45)80-68(49)52)66(64(65)53-26-14-23-50-46-19-7-11-30-60(46)81-69(50)53)78-56-27-8-4-16-42(56)43-34-32-39(36-57(43)78)71(74,75)76;65-33-37-17-23-40(24-18-37)56-49(36-68)57(41-25-19-38(34-66)20-26-41)64(70-51-14-6-2-10-44(51)46-30-32-55-60(62(46)70)48-12-4-8-16-53(48)72-55)58(42-27-21-39(35-67)22-28-42)63(56)69-50-13-5-1-9-43(50)45-29-31-54-59(61(45)69)47-11-3-7-15-52(47)71-54;65-33-37-15-1-4-18-40(37)56-49(36-68)57(41-19-5-2-16-38(41)34-66)62(70-51-26-12-8-24-48(51)59-53(70)32-30-46-44-22-10-14-28-55(44)72-64(46)59)60(42-20-6-3-17-39(42)35-67)61(56)69-50-25-11-7-23-47(50)58-52(69)31-29-45-43-21-9-13-27-54(43)71-63(45)58/h2-36,61H,1H3;2*1-32H
InChIKeyQXMYHMYXOCIVOD-UHFFFAOYSA-N
XLogP54.39
TPSA291.32 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002945.30
LogP ≤ 554.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile;3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,4,6-tris(2-cyanophenyl)benzonitrile;2,4,6-tri(dibenzothiophen-4-yl)-3-[2-(1,1-difluoroethyl)-9H-fluoren-9-yl]-5-[2-(trifluoromethyl)carbazol-9-yl]benzonitrile with MolForge

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Related Compounds

4,7-Bis(10-tert-butyl-[1]benzofuro[2,3-b]carbazol-7-yl)-1,1,3,3-tetrafluoro-2-benzofuran-5,6-dicarbonitrile
CID 122609757
4,7-Bis([1]benzofuro[2,3-b]carbazol-7-yl)-2,2-difluoro-1,1,3,3-tetramethylindene-5,6-dicarbonitrile
CID 122609865
2,6-Bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 134287687
2,6-Bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295576
2,6-Bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 134473301
2,6-Bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386459
2,6-Bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 137386620
3,5-Bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 137386641
2,6-Bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 137392926
2,6-Bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 137393102
3-([1]Benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138498846
4-([1]Benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138498884

Frequently Asked Questions

What is the IUPAC name of 3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile;3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,4,6-tris(2-cyanophenyl)benzonitrile;2,4,6-tri(dibenzothiophen-4-yl)-3-[2-(1,1-difluoroethyl)-9H-fluoren-9-yl]-5-[2-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile;3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,4,6-tris(2-cyanophenyl)benzonitrile;2,4,6-tri(dibenzothiophen-4-yl)-3-[2-(1,1-difluoroethyl)-9H-fluoren-9-yl]-5-[2-(trifluoromethyl)carbazol-9-yl]benzonitrile (CID 160546593) is 3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile;3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,4,6-tris(2-cyanophenyl)benzonitrile;2,4,6-tri(dibenzothiophen-4-yl)-3-[2-(1,1-difluoroethyl)-9H-fluoren-9-yl]-5-[2-(trifluoromethyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile;3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,4,6-tris(2-cyanophenyl)benzonitrile;2,4,6-tri(dibenzothiophen-4-yl)-3-[2-(1,1-difluoroethyl)-9H-fluoren-9-yl]-5-[2-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile;3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,4,6-tris(2-cyanophenyl)benzonitrile;2,4,6-tri(dibenzothiophen-4-yl)-3-[2-(1,1-difluoroethyl)-9H-fluoren-9-yl]-5-[2-(trifluoromethyl)carbazol-9-yl]benzonitrile is CC(F)(F)c1ccc2c(c1)C(c1c(-c3cccc4c3sc3ccccc34)c(C#N)c(-c3cccc4c3sc3ccccc34)c(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c1-c1cccc3c1sc1ccccc13)c1ccccc1-2.N#Cc1ccc(-c2c(C#N)c(-c3ccc(C#N)cc3)c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(-c3ccc(C#N)cc3)c2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc1.N#Cc1ccccc1-c1c(C#N)c(-c2ccccc2C#N)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2ccccc2C#N)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.
What is the InChIKey of 3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile;3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,4,6-tris(2-cyanophenyl)benzonitrile;2,4,6-tri(dibenzothiophen-4-yl)-3-[2-(1,1-difluoroethyl)-9H-fluoren-9-yl]-5-[2-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The InChIKey is QXMYHMYXOCIVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H39F5N2S3.2C64H32N6O2/c1-70(72,73)38-31-33-41-40-15-2-3-20-47(40)61(54(41)35-38)65-62(51-24-12-21-48-44-17-5-9-28-58(44)79-67(48)51)55(37-77)63(52-25-13-22-49-45-18-6-10-29-59(45)80-68(49)52)66(64(65)53-26-14-23-50-46-19-7-11-30-60(46)81-69(50)53)78-56-27-8-4-16-42(56)43-34-32-39(36-57(43)78)71(74,75)76;65-33-37-17-23-40(24-18-37)56-49(36-68)57(41-25-19-38(34-66)20-26-41)64(70-51-14-6-2-10-44(51)46-30-32-55-60(62(46)70)48-12-4-8-16-53(48)72-55)58(42-27-21-39(35-67)22-28-42)63(56)69-50-13-5-1-9-43(50)45-29-31-54-59(61(45)69)47-11-3-7-15-52(47)71-54;65-33-37-15-1-4-18-40(37)56-49(36-68)57(41-19-5-2-16-38(41)34-66)62(70-51-26-12-8-24-48(51)59-53(70)32-30-46-44-22-10-14-28-55(44)72-64(46)59)60(42-20-6-3-17-39(42)35-67)61(56)69-50-25-11-7-23-47(50)58-52(69)31-29-45-43-21-9-13-27-54(43)71-63(45)58/h2-36,61H,1H3;2*1-32H.
What are the key properties of 3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile;3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,4,6-tris(2-cyanophenyl)benzonitrile;2,4,6-tri(dibenzothiophen-4-yl)-3-[2-(1,1-difluoroethyl)-9H-fluoren-9-yl]-5-[2-(trifluoromethyl)carbazol-9-yl]benzonitrile?
3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile;3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,4,6-tris(2-cyanophenyl)benzonitrile;2,4,6-tri(dibenzothiophen-4-yl)-3-[2-(1,1-difluoroethyl)-9H-fluoren-9-yl]-5-[2-(trifluoromethyl)carbazol-9-yl]benzonitrile has a molecular weight of 2945.30 g/mol, XLogP of 54.39, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile;3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,4,6-tris(2-cyanophenyl)benzonitrile;2,4,6-tri(dibenzothiophen-4-yl)-3-[2-(1,1-difluoroethyl)-9H-fluoren-9-yl]-5-[2-(trifluoromethyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 160546593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).