2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile

C196H100F8N12O4S4 — CID 159706301

IUPAC2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc(-c2c(F)cccc2F)cc1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.N#Cc1c(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)cc(-c2c(F)cccc2F)cc1-n1c2ccccc2c2ccc3c4ccccc4sc3c21.N#Cc1c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc(-c2c(F)cccc2F)cc1-n1c2ccccc2c2ccc3oc4ccccc4c3c21.N#Cc1c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)cc(-c2c(F)cccc2F)cc1-n1c2ccccc2c2ccc3sc4ccccc4c3c21
InChIInChI=1S/2C49H25F2N3O2.2C49H25F2N3S2/c50-35-14-9-15-36(51)45(35)27-24-39(53-37-16-5-1-10-28(37)30-20-22-43-46(48(30)53)32-12-3-7-18-41(32)55-43)34(26-52)40(25-27)54-38-17-6-2-11-29(38)31-21-23-44-47(49(31)54)33-13-4-8-19-42(33)56-44;50-37-14-9-15-38(51)45(37)27-24-41(53-39-16-5-1-10-28(39)32-20-22-34-30-12-3-7-18-43(30)55-48(34)46(32)53)36(26-52)42(25-27)54-40-17-6-2-11-29(40)33-21-23-35-31-13-4-8-19-44(31)56-49(35)47(33)54;50-35-14-9-15-36(51)45(35)27-24-39(53-37-16-5-1-10-28(37)30-20-22-43-46(48(30)53)32-12-3-7-18-41(32)55-43)34(26-52)40(25-27)54-38-17-6-2-11-29(38)31-21-23-44-47(49(31)54)33-13-4-8-19-42(33)56-44;50-37-14-9-15-38(51)45(37)27-24-41(53-39-16-5-1-10-28(39)32-20-22-34-30-12-3-7-18-43(30)55-48(34)46(32)53)36(26-52)42(25-27)54-40-17-6-2-11-29(40)33-21-23-35-31-13-4-8-19-44(31)56-49(35)47(33)54/h4*1-25H
InChIKeyMYGHMWMOLHLSEO-UHFFFAOYSA-N
MW2967.29 g/mol
LogP55.86
Rot. Bonds12

About 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile

2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile (PubChem CID 159706301) has the molecular formula C196H100F8N12O4S4 and a molecular weight of 2967.29 g/mol. Its IUPAC name is 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile.

Molecular Properties

Compound Name2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile
PubChem CID159706301
Molecular FormulaC196H100F8N12O4S4
Molecular Weight2967.29 g/mol
Exact Mass2964.67
IUPAC Name2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc(-c2c(F)cccc2F)cc1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.N#Cc1c(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)cc(-c2c(F)cccc2F)cc1-n1c2ccccc2c2ccc3c4ccccc4sc3c21.N#Cc1c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc(-c2c(F)cccc2F)cc1-n1c2ccccc2c2ccc3oc4ccccc4c3c21.N#Cc1c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)cc(-c2c(F)cccc2F)cc1-n1c2ccccc2c2ccc3sc4ccccc4c3c21
InChIInChI=1S/2C49H25F2N3O2.2C49H25F2N3S2/c50-35-14-9-15-36(51)45(35)27-24-39(53-37-16-5-1-10-28(37)30-20-22-43-46(48(30)53)32-12-3-7-18-41(32)55-43)34(26-52)40(25-27)54-38-17-6-2-11-29(38)31-21-23-44-47(49(31)54)33-13-4-8-19-42(33)56-44;50-37-14-9-15-38(51)45(37)27-24-41(53-39-16-5-1-10-28(39)32-20-22-34-30-12-3-7-18-43(30)55-48(34)46(32)53)36(26-52)42(25-27)54-40-17-6-2-11-29(40)33-21-23-35-31-13-4-8-19-44(31)56-49(35)47(33)54;50-35-14-9-15-36(51)45(35)27-24-39(53-37-16-5-1-10-28(37)30-20-22-43-46(48(30)53)32-12-3-7-18-41(32)55-43)34(26-52)40(25-27)54-38-17-6-2-11-29(38)31-21-23-44-47(49(31)54)33-13-4-8-19-42(33)56-44;50-37-14-9-15-38(51)45(37)27-24-41(53-39-16-5-1-10-28(39)32-20-22-34-30-12-3-7-18-43(30)55-48(34)46(32)53)36(26-52)42(25-27)54-40-17-6-2-11-29(40)33-21-23-35-31-13-4-8-19-44(31)56-49(35)47(33)54/h4*1-25H
InChIKeyMYGHMWMOLHLSEO-UHFFFAOYSA-N
XLogP55.86
TPSA187.16 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002967.29
LogP ≤ 555.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile with MolForge

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Related Compounds

2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 162158216
2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,3,4,5,6-pentafluorophenyl)benzonitrile
CID 148760237
2-([1]benzothiolo[3,2-a]carbazol-12-yl)-4,6-di(carbazol-9-yl)-5-dibenzofuran-2-ylbenzene-1,3-dicarbonitrile
CID 146562148
4,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3,6-di(dibenzofuran-4-yl)benzene-1,2-dicarbonitrile
CID 167209249
4-(2-dibenzofuran-4-ylcarbazol-9-yl)-2,5-diphenyl-6-(7-phenyl-12,18-dithia-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-15-yl)benzene-1,3-dicarbonitrile
CID 167220304
12-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-[1]benzofuro[3,2-a]carbazole
CID 170277042
5-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(12,18-dithia-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-15-yl)-3-isocyano-4,6-diphenylbenzonitrile
CID 172519626
5-isocyano-2-(7-methyl-[1]benzofuro[2,3-a]carbazol-12-yl)-4-(12-oxa-18-thia-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-15-yl)-3,6-diphenylbenzonitrile
CID 172519136
2-(12,18-dithia-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-15-yl)-3-isocyano-5-(6-methyl-[1]benzofuro[2,3-a]carbazol-12-yl)-4,6-diphenylbenzonitrile
CID 172519115
4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-dibenzothiophen-4-yl-6-phenylpyrimidine-5-carbonitrile
CID 170253179
2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3,6-di(carbazol-9-yl)benzene-1,4-dicarbonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3,6-di(carbazol-9-yl)benzene-1,4-dicarbonitrile;2,5-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-3,6-di(carbazol-9-yl)benzene-1,4-dicarbonitrile
CID 158184322
4-(2-dibenzofuran-4-ylcarbazol-9-yl)-2,5-diphenyl-6-(3-phenyl-12,18-dithia-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2,4,6,8,10,13,17(25),19,21,23,26-dodecaen-15-yl)benzene-1,3-dicarbonitrile
CID 167220551

Frequently Asked Questions

What is the IUPAC name of 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile?
The IUPAC name of 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile (CID 159706301) is 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile.
What is the SMILES notation for 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile?
The canonical SMILES for 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile is N#Cc1c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc(-c2c(F)cccc2F)cc1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.N#Cc1c(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)cc(-c2c(F)cccc2F)cc1-n1c2ccccc2c2ccc3c4ccccc4sc3c21.N#Cc1c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc(-c2c(F)cccc2F)cc1-n1c2ccccc2c2ccc3oc4ccccc4c3c21.N#Cc1c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)cc(-c2c(F)cccc2F)cc1-n1c2ccccc2c2ccc3sc4ccccc4c3c21.
What is the InChIKey of 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile?
The InChIKey is MYGHMWMOLHLSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H25F2N3O2.2C49H25F2N3S2/c50-35-14-9-15-36(51)45(35)27-24-39(53-37-16-5-1-10-28(37)30-20-22-43-46(48(30)53)32-12-3-7-18-41(32)55-43)34(26-52)40(25-27)54-38-17-6-2-11-29(38)31-21-23-44-47(49(31)54)33-13-4-8-19-42(33)56-44;50-37-14-9-15-38(51)45(37)27-24-41(53-39-16-5-1-10-28(39)32-20-22-34-30-12-3-7-18-43(30)55-48(34)46(32)53)36(26-52)42(25-27)54-40-17-6-2-11-29(40)33-21-23-35-31-13-4-8-19-44(31)56-49(35)47(33)54;50-35-14-9-15-36(51)45(35)27-24-39(53-37-16-5-1-10-28(37)30-20-22-43-46(48(30)53)32-12-3-7-18-41(32)55-43)34(26-52)40(25-27)54-38-17-6-2-11-29(38)31-21-23-44-47(49(31)54)33-13-4-8-19-42(33)56-44;50-37-14-9-15-38(51)45(37)27-24-41(53-39-16-5-1-10-28(39)32-20-22-34-30-12-3-7-18-43(30)55-48(34)46(32)53)36(26-52)42(25-27)54-40-17-6-2-11-29(40)33-21-23-35-31-13-4-8-19-44(31)56-49(35)47(33)54/h4*1-25H.
What are the key properties of 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile?
2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile has a molecular weight of 2967.29 g/mol, XLogP of 55.86, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile is sourced from PubChem (CID 159706301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).