3-[3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;9-[5-(3-isocyanophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole

C246H130F15N19O4S4 — CID 159453971

IUPAC3-[3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;9-[5-(3-isocyanophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ncccn5)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc(-c5ncccn5)cc43)c2)c1
InChIInChI=1S/2C50H26F3N3O2.2C50H26F3N3S2.C46H26F3N7/c51-50(52,53)47-39(55-37-16-5-1-12-31(37)33-20-22-43-45(48(33)55)35-14-3-7-18-41(35)57-43)25-30(29-11-9-10-28(24-29)27-54)26-40(47)56-38-17-6-2-13-32(38)34-21-23-44-46(49(34)56)36-15-4-8-19-42(36)58-44;51-50(52,53)45-41(55-39-16-5-1-12-31(39)35-20-22-37-33-14-3-7-18-43(33)57-48(37)46(35)55)25-30(29-11-9-10-28(24-29)27-54)26-42(45)56-40-17-6-2-13-32(40)36-21-23-38-34-15-4-8-19-44(34)58-49(38)47(36)56;51-50(52,53)47-39(55-37-16-5-1-12-31(37)33-20-22-43-45(48(33)55)35-14-3-7-18-41(35)57-43)25-30(29-11-9-10-28(24-29)27-54)26-40(47)56-38-17-6-2-13-32(38)34-21-23-44-46(49(34)56)36-15-4-8-19-42(36)58-44;51-50(52,53)45-41(55-39-16-5-1-12-31(39)35-20-22-37-33-14-3-7-18-43(33)57-48(37)46(35)55)25-30(29-11-9-10-28(24-29)27-54)26-42(45)56-40-17-6-2-13-32(40)36-21-23-38-34-15-4-8-19-44(34)58-49(38)47(36)56;1-50-32-10-6-9-28(23-32)31-26-41(55-37-13-4-2-11-33(37)35-17-15-29(24-39(35)55)44-51-19-7-20-52-44)43(46(47,48)49)42(27-31)56-38-14-5-3-12-34(38)36-18-16-30(25-40(36)56)45-53-21-8-22-54-45/h4*1-26H;2-27H
InChIKeyLTSPVEAVHODVIZ-UHFFFAOYSA-N
MW3829.11 g/mol
LogP70.85
Rot. Bonds17

About 3-[3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;9-[5-(3-isocyanophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole

3-[3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;9-[5-(3-isocyanophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole (PubChem CID 159453971) has the molecular formula C246H130F15N19O4S4 and a molecular weight of 3829.11 g/mol. Its IUPAC name is 3-[3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;9-[5-(3-isocyanophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole.

Molecular Properties

Compound Name3-[3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;9-[5-(3-isocyanophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole
PubChem CID159453971
Molecular FormulaC246H130F15N19O4S4
Molecular Weight3829.11 g/mol
Exact Mass3825.92
IUPAC Name3-[3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;9-[5-(3-isocyanophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ncccn5)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc(-c5ncccn5)cc43)c2)c1
InChIInChI=1S/2C50H26F3N3O2.2C50H26F3N3S2.C46H26F3N7/c51-50(52,53)47-39(55-37-16-5-1-12-31(37)33-20-22-43-45(48(33)55)35-14-3-7-18-41(35)57-43)25-30(29-11-9-10-28(24-29)27-54)26-40(47)56-38-17-6-2-13-32(38)34-21-23-44-46(49(34)56)36-15-4-8-19-42(36)58-44;51-50(52,53)45-41(55-39-16-5-1-12-31(39)35-20-22-37-33-14-3-7-18-43(33)57-48(37)46(35)55)25-30(29-11-9-10-28(24-29)27-54)26-42(45)56-40-17-6-2-13-32(40)36-21-23-38-34-15-4-8-19-44(34)58-49(38)47(36)56;51-50(52,53)47-39(55-37-16-5-1-12-31(37)33-20-22-43-45(48(33)55)35-14-3-7-18-41(35)57-43)25-30(29-11-9-10-28(24-29)27-54)26-40(47)56-38-17-6-2-13-32(38)34-21-23-44-46(49(34)56)36-15-4-8-19-42(36)58-44;51-50(52,53)45-41(55-39-16-5-1-12-31(39)35-20-22-37-33-14-3-7-18-43(33)57-48(37)46(35)55)25-30(29-11-9-10-28(24-29)27-54)26-42(45)56-40-17-6-2-13-32(40)36-21-23-38-34-15-4-8-19-44(34)58-49(38)47(36)56;1-50-32-10-6-9-28(23-32)31-26-41(55-37-13-4-2-11-33(37)35-17-15-29(24-39(35)55)44-51-19-7-20-52-44)43(46(47,48)49)42(27-31)56-38-14-5-3-12-34(38)36-18-16-30(25-40(36)56)45-53-21-8-22-54-45/h4*1-26H;2-27H
InChIKeyLTSPVEAVHODVIZ-UHFFFAOYSA-N
XLogP70.85
TPSA252.94 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003829.11
LogP ≤ 570.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-[3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;9-[5-(3-isocyanophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole with MolForge

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Related Compounds

2,6-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 157432745
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-methylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-2-methylcarbazole;9-[4-(3,5-difluorophenyl)-3-(2-pyrazin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 157608574
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(2-pyrimidin-2-ylcarbazol-9-yl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 157838223
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-isocyano-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[4-isocyano-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2-pyrimidin-2-ylcarbazole
CID 157879294
CID 157978144
CID 157978144
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-methylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-methylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 158304035
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;3-[2-methyl-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 158351719
3-[2,6-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 158582371
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;9-[3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[5-(3,5-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[5-(3,5-difluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 158679397
CID 158769370
CID 158769370
CID 158982912
CID 158982912
2,6-Bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2-cyano-6-methylphenyl)benzonitrile;2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 159561087

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;9-[5-(3-isocyanophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole?
The IUPAC name of 3-[3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;9-[5-(3-isocyanophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole (CID 159453971) is 3-[3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;9-[5-(3-isocyanophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole.
What is the SMILES notation for 3-[3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;9-[5-(3-isocyanophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole?
The canonical SMILES for 3-[3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;9-[5-(3-isocyanophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole is N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ncccn5)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc(-c5ncccn5)cc43)c2)c1.
What is the InChIKey of 3-[3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;9-[5-(3-isocyanophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole?
The InChIKey is LTSPVEAVHODVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H26F3N3O2.2C50H26F3N3S2.C46H26F3N7/c51-50(52,53)47-39(55-37-16-5-1-12-31(37)33-20-22-43-45(48(33)55)35-14-3-7-18-41(35)57-43)25-30(29-11-9-10-28(24-29)27-54)26-40(47)56-38-17-6-2-13-32(38)34-21-23-44-46(49(34)56)36-15-4-8-19-42(36)58-44;51-50(52,53)45-41(55-39-16-5-1-12-31(39)35-20-22-37-33-14-3-7-18-43(33)57-48(37)46(35)55)25-30(29-11-9-10-28(24-29)27-54)26-42(45)56-40-17-6-2-13-32(40)36-21-23-38-34-15-4-8-19-44(34)58-49(38)47(36)56;51-50(52,53)47-39(55-37-16-5-1-12-31(37)33-20-22-43-45(48(33)55)35-14-3-7-18-41(35)57-43)25-30(29-11-9-10-28(24-29)27-54)26-40(47)56-38-17-6-2-13-32(38)34-21-23-44-46(49(34)56)36-15-4-8-19-42(36)58-44;51-50(52,53)45-41(55-39-16-5-1-12-31(39)35-20-22-37-33-14-3-7-18-43(33)57-48(37)46(35)55)25-30(29-11-9-10-28(24-29)27-54)26-42(45)56-40-17-6-2-13-32(40)36-21-23-38-34-15-4-8-19-44(34)58-49(38)47(36)56;1-50-32-10-6-9-28(23-32)31-26-41(55-37-13-4-2-11-33(37)35-17-15-29(24-39(35)55)44-51-19-7-20-52-44)43(46(47,48)49)42(27-31)56-38-14-5-3-12-34(38)36-18-16-30(25-40(36)56)45-53-21-8-22-54-45/h4*1-26H;2-27H.
What are the key properties of 3-[3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;9-[5-(3-isocyanophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole?
3-[3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;9-[5-(3-isocyanophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole has a molecular weight of 3829.11 g/mol, XLogP of 70.85, 17 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;9-[5-(3-isocyanophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole is sourced from PubChem (CID 159453971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).