2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[2,1-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile

C308H158F18N28O4S2 — CID 159397657

IUPAC2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[2,1-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c(C#N)c(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c1.N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3cc4c(cc32)[nH]c2ccccc24)c(C#N)c(-n2c3ccccc3c3cc4c(cc32)[nH]c2ccccc24)c1.N#Cc1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)Cc3ccccc3-5)c(C#N)c(-n3c4ccccc4c4cc5c(cc43)Cc3ccccc3-5)c2)c(C(F)(F)F)c1.N#Cc1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)[nH]c3ccccc35)c(C#N)c(-n3c4ccccc4c4cc5c(cc43)[nH]c3ccccc35)c2)c(C(F)(F)F)c1.N#Cc1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c(C#N)c(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c2)c(C(F)(F)F)c1.N#Cc1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)c(C#N)c(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)c2)c(C(F)(F)F)c1
InChIInChI=1S/C53H29F3N4.2C51H27F3N6.2C51H25F3N4O2.C51H25F3N4S2/c54-53(55,56)46-19-30(28-57)17-18-38(46)35-24-51(59-47-15-7-5-13-39(47)43-26-41-33(22-49(43)59)20-31-9-1-3-11-36(31)41)45(29-58)52(25-35)60-48-16-8-6-14-40(48)44-27-42-34(23-50(44)60)21-32-10-2-4-12-37(32)42;52-51(53,54)30-17-18-31(29(19-30)26-55)28-20-47(59-45-15-7-3-11-34(45)38-22-36-32-9-1-5-13-41(32)57-43(36)24-49(38)59)40(27-56)48(21-28)60-46-16-8-4-12-35(46)39-23-37-33-10-2-6-14-42(33)58-44(37)25-50(39)60;52-51(53,54)40-19-28(26-55)17-18-30(40)29-20-47(59-45-15-7-3-11-33(45)37-22-35-31-9-1-5-13-41(31)57-43(35)24-49(37)59)39(27-56)48(21-29)60-46-16-8-4-12-34(46)38-23-36-32-10-2-6-14-42(32)58-44(36)25-50(38)60;52-51(53,54)40-19-28(26-55)17-18-30(40)29-20-43(57-41-13-5-1-9-31(41)35-22-37-33-11-3-7-15-47(33)59-49(37)24-45(35)57)39(27-56)44(21-29)58-42-14-6-2-10-32(42)36-23-38-34-12-4-8-16-48(34)60-50(38)25-46(36)58;52-51(53,54)30-17-18-31(29(23-30)26-55)28-24-41(57-37-13-5-1-9-32(37)47-39(57)19-21-45-49(47)34-11-3-7-15-43(34)59-45)36(27-56)42(25-28)58-38-14-6-2-10-33(38)48-40(58)20-22-46-50(48)35-12-4-8-16-44(35)60-46;52-51(53,54)40-19-28(26-55)17-18-30(40)29-20-43(57-41-13-5-1-9-31(41)35-22-37-33-11-3-7-15-47(33)59-49(37)24-45(35)57)39(27-56)44(21-29)58-42-14-6-2-10-32(42)36-23-38-34-12-4-8-16-48(34)60-50(38)25-46(36)58/h1-19,22-27H,20-21H2;2*1-25,57-58H;3*1-25H
InChIKeyLMYBEKKWVMOCQI-UHFFFAOYSA-N
MW4720.94 g/mol
LogP83.87
Rot. Bonds18

About 2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[2,1-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile

2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[2,1-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile (PubChem CID 159397657) has the molecular formula C308H158F18N28O4S2 and a molecular weight of 4720.94 g/mol. Its IUPAC name is 2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[2,1-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile.

Molecular Properties

Compound Name2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[2,1-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile
PubChem CID159397657
Molecular FormulaC308H158F18N28O4S2
Molecular Weight4720.94 g/mol
Exact Mass4717.22
IUPAC Name2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[2,1-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c(C#N)c(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c1.N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3cc4c(cc32)[nH]c2ccccc24)c(C#N)c(-n2c3ccccc3c3cc4c(cc32)[nH]c2ccccc24)c1.N#Cc1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)Cc3ccccc3-5)c(C#N)c(-n3c4ccccc4c4cc5c(cc43)Cc3ccccc3-5)c2)c(C(F)(F)F)c1.N#Cc1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)[nH]c3ccccc35)c(C#N)c(-n3c4ccccc4c4cc5c(cc43)[nH]c3ccccc35)c2)c(C(F)(F)F)c1.N#Cc1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c(C#N)c(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c2)c(C(F)(F)F)c1.N#Cc1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)c(C#N)c(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)c2)c(C(F)(F)F)c1
InChIInChI=1S/C53H29F3N4.2C51H27F3N6.2C51H25F3N4O2.C51H25F3N4S2/c54-53(55,56)46-19-30(28-57)17-18-38(46)35-24-51(59-47-15-7-5-13-39(47)43-26-41-33(22-49(43)59)20-31-9-1-3-11-36(31)41)45(29-58)52(25-35)60-48-16-8-6-14-40(48)44-27-42-34(23-50(44)60)21-32-10-2-4-12-37(32)42;52-51(53,54)30-17-18-31(29(19-30)26-55)28-20-47(59-45-15-7-3-11-34(45)38-22-36-32-9-1-5-13-41(32)57-43(36)24-49(38)59)40(27-56)48(21-28)60-46-16-8-4-12-35(46)39-23-37-33-10-2-6-14-42(33)58-44(37)25-50(39)60;52-51(53,54)40-19-28(26-55)17-18-30(40)29-20-47(59-45-15-7-3-11-33(45)37-22-35-31-9-1-5-13-41(31)57-43(35)24-49(37)59)39(27-56)48(21-29)60-46-16-8-4-12-34(46)38-23-36-32-10-2-6-14-42(32)58-44(36)25-50(38)60;52-51(53,54)40-19-28(26-55)17-18-30(40)29-20-43(57-41-13-5-1-9-31(41)35-22-37-33-11-3-7-15-47(33)59-49(37)24-45(35)57)39(27-56)44(21-29)58-42-14-6-2-10-32(42)36-23-38-34-12-4-8-16-48(34)60-50(38)25-46(36)58;52-51(53,54)30-17-18-31(29(23-30)26-55)28-24-41(57-37-13-5-1-9-32(37)47-39(57)19-21-45-49(47)34-11-3-7-15-43(34)59-45)36(27-56)42(25-28)58-38-14-6-2-10-33(38)48-40(58)20-22-46-50(48)35-12-4-8-16-44(35)60-46;52-51(53,54)40-19-28(26-55)17-18-30(40)29-20-43(57-41-13-5-1-9-31(41)35-22-37-33-11-3-7-15-47(33)59-49(37)24-45(35)57)39(27-56)44(21-29)58-42-14-6-2-10-32(42)36-23-38-34-12-4-8-16-48(34)60-50(38)25-46(36)58/h1-19,22-27H,20-21H2;2*1-25,57-58H;3*1-25H
InChIKeyLMYBEKKWVMOCQI-UHFFFAOYSA-N
XLogP83.87
TPSA460.36 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds18
Heavy Atoms360
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004720.94
LogP ≤ 583.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Analyze 2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[2,1-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[2,1-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile?
The IUPAC name of 2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[2,1-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile (CID 159397657) is 2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[2,1-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile.
What is the SMILES notation for 2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[2,1-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile?
The canonical SMILES for 2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[2,1-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile is N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c(C#N)c(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c1.N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3cc4c(cc32)[nH]c2ccccc24)c(C#N)c(-n2c3ccccc3c3cc4c(cc32)[nH]c2ccccc24)c1.N#Cc1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)Cc3ccccc3-5)c(C#N)c(-n3c4ccccc4c4cc5c(cc43)Cc3ccccc3-5)c2)c(C(F)(F)F)c1.N#Cc1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)[nH]c3ccccc35)c(C#N)c(-n3c4ccccc4c4cc5c(cc43)[nH]c3ccccc35)c2)c(C(F)(F)F)c1.N#Cc1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c(C#N)c(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c2)c(C(F)(F)F)c1.N#Cc1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)c(C#N)c(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)c2)c(C(F)(F)F)c1.
What is the InChIKey of 2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[2,1-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile?
The InChIKey is LMYBEKKWVMOCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H29F3N4.2C51H27F3N6.2C51H25F3N4O2.C51H25F3N4S2/c54-53(55,56)46-19-30(28-57)17-18-38(46)35-24-51(59-47-15-7-5-13-39(47)43-26-41-33(22-49(43)59)20-31-9-1-3-11-36(31)41)45(29-58)52(25-35)60-48-16-8-6-14-40(48)44-27-42-34(23-50(44)60)21-32-10-2-4-12-37(32)42;52-51(53,54)30-17-18-31(29(19-30)26-55)28-20-47(59-45-15-7-3-11-34(45)38-22-36-32-9-1-5-13-41(32)57-43(36)24-49(38)59)40(27-56)48(21-28)60-46-16-8-4-12-35(46)39-23-37-33-10-2-6-14-42(33)58-44(37)25-50(39)60;52-51(53,54)40-19-28(26-55)17-18-30(40)29-20-47(59-45-15-7-3-11-33(45)37-22-35-31-9-1-5-13-41(31)57-43(35)24-49(37)59)39(27-56)48(21-29)60-46-16-8-4-12-34(46)38-23-36-32-10-2-6-14-42(32)58-44(36)25-50(38)60;52-51(53,54)40-19-28(26-55)17-18-30(40)29-20-43(57-41-13-5-1-9-31(41)35-22-37-33-11-3-7-15-47(33)59-49(37)24-45(35)57)39(27-56)44(21-29)58-42-14-6-2-10-32(42)36-23-38-34-12-4-8-16-48(34)60-50(38)25-46(36)58;52-51(53,54)30-17-18-31(29(23-30)26-55)28-24-41(57-37-13-5-1-9-32(37)47-39(57)19-21-45-49(47)34-11-3-7-15-43(34)59-45)36(27-56)42(25-28)58-38-14-6-2-10-33(38)48-40(58)20-22-46-50(48)35-12-4-8-16-44(35)60-46;52-51(53,54)40-19-28(26-55)17-18-30(40)29-20-43(57-41-13-5-1-9-31(41)35-22-37-33-11-3-7-15-47(33)59-49(37)24-45(35)57)39(27-56)44(21-29)58-42-14-6-2-10-32(42)36-23-38-34-12-4-8-16-48(34)60-50(38)25-46(36)58/h1-19,22-27H,20-21H2;2*1-25,57-58H;3*1-25H.
What are the key properties of 2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[2,1-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile?
2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[2,1-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile has a molecular weight of 4720.94 g/mol, XLogP of 83.87, 18 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[2,1-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(7H-indolo[2,3-b]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile is sourced from PubChem (CID 159397657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).