3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(2-pyridin-2-ylcarbazol-9-yl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile

C248H126F15N27O4S2 — CID 160533362

IUPAC3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(2-pyridin-2-ylcarbazol-9-yl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
SMILES[C-]#[N+]c1cccc(C(F)(F)F)c1-c1c(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)cc(C#N)cc1-n1c2ccccc2c2cc(-c3ncccn3)ccc21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1c(-n2c3ccccc3c3ccc(-c4ccccn4)cc32)cc(C#N)cc1-n1c2ccccc2c2ccc(-c3ncccn3)cc21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc(C#N)cc1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc(C#N)cc1-n1c2ccccc2c2ccc3oc4ccccc4c3c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)cc(C#N)cc1-n1c2ccccc2c2ccc3sc4ccccc4c3c21
InChIInChI=1S/2C51H25F3N4O2.C51H25F3N4S2.C48H26F3N7.C47H25F3N8/c1-56-36-16-10-15-35(51(52,53)54)47(36)48-39(57-37-17-6-2-11-29(37)31-21-23-43-45(49(31)57)33-13-4-8-19-41(33)59-43)25-28(27-55)26-40(48)58-38-18-7-3-12-30(38)32-22-24-44-46(50(32)58)34-14-5-9-20-42(34)60-44;1-56-38-16-10-15-37(51(52,53)54)45(38)46-41(57-39-17-6-2-11-29(39)33-21-23-35-31-13-4-8-19-43(31)59-49(35)47(33)57)25-28(27-55)26-42(46)58-40-18-7-3-12-30(40)34-22-24-36-32-14-5-9-20-44(32)60-50(36)48(34)58;1-56-36-16-10-15-35(51(52,53)54)47(36)48-39(57-37-17-6-2-11-29(37)31-21-23-43-45(49(31)57)33-13-4-8-19-41(33)59-43)25-28(27-55)26-40(48)58-38-18-7-3-12-30(38)32-22-24-44-46(50(32)58)34-14-5-9-20-42(34)60-44;1-53-38-14-8-12-36(48(49,50)51)45(38)46-43(57-39-15-4-2-10-32(39)34-19-17-30(26-41(34)57)37-13-6-7-21-54-37)24-29(28-52)25-44(46)58-40-16-5-3-11-33(40)35-20-18-31(27-42(35)58)47-55-22-9-23-56-47;1-52-36-12-6-11-35(47(48,49)50)43(36)44-41(57-37-13-4-2-9-31(37)33-25-29(15-17-39(33)57)45-53-19-7-20-54-45)23-28(27-51)24-42(44)58-38-14-5-3-10-32(38)34-26-30(16-18-40(34)58)46-55-21-8-22-56-46/h3*2-26H;2-27H;2-26H
InChIKeyQVVLOWVEXHMBAX-UHFFFAOYSA-N
MW3897.02 g/mol
LogP69.71
Rot. Bonds19

About 3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(2-pyridin-2-ylcarbazol-9-yl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile

3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(2-pyridin-2-ylcarbazol-9-yl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile (PubChem CID 160533362) has the molecular formula C248H126F15N27O4S2 and a molecular weight of 3897.02 g/mol. Its IUPAC name is 3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(2-pyridin-2-ylcarbazol-9-yl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(2-pyridin-2-ylcarbazol-9-yl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
PubChem CID160533362
Molecular FormulaC248H126F15N27O4S2
Molecular Weight3897.02 g/mol
Exact Mass3893.97
IUPAC Name3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(2-pyridin-2-ylcarbazol-9-yl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
SMILES[C-]#[N+]c1cccc(C(F)(F)F)c1-c1c(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)cc(C#N)cc1-n1c2ccccc2c2cc(-c3ncccn3)ccc21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1c(-n2c3ccccc3c3ccc(-c4ccccn4)cc32)cc(C#N)cc1-n1c2ccccc2c2ccc(-c3ncccn3)cc21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc(C#N)cc1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc(C#N)cc1-n1c2ccccc2c2ccc3oc4ccccc4c3c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)cc(C#N)cc1-n1c2ccccc2c2ccc3sc4ccccc4c3c21
InChIInChI=1S/2C51H25F3N4O2.C51H25F3N4S2.C48H26F3N7.C47H25F3N8/c1-56-36-16-10-15-35(51(52,53)54)47(36)48-39(57-37-17-6-2-11-29(37)31-21-23-43-45(49(31)57)33-13-4-8-19-41(33)59-43)25-28(27-55)26-40(48)58-38-18-7-3-12-30(38)32-22-24-44-46(50(32)58)34-14-5-9-20-42(34)60-44;1-56-38-16-10-15-37(51(52,53)54)45(38)46-41(57-39-17-6-2-11-29(39)33-21-23-35-31-13-4-8-19-43(31)59-49(35)47(33)57)25-28(27-55)26-42(46)58-40-18-7-3-12-30(40)34-22-24-36-32-14-5-9-20-44(32)60-50(36)48(34)58;1-56-36-16-10-15-35(51(52,53)54)47(36)48-39(57-37-17-6-2-11-29(37)31-21-23-43-45(49(31)57)33-13-4-8-19-41(33)59-43)25-28(27-55)26-40(48)58-38-18-7-3-12-30(38)32-22-24-44-46(50(32)58)34-14-5-9-20-42(34)60-44;1-53-38-14-8-12-36(48(49,50)51)45(38)46-43(57-39-15-4-2-10-32(39)34-19-17-30(26-41(34)57)37-13-6-7-21-54-37)24-29(28-52)25-44(46)58-40-16-5-3-11-33(40)35-20-18-31(27-42(35)58)47-55-22-9-23-56-47;1-52-36-12-6-11-35(47(48,49)50)43(36)44-41(57-37-13-4-2-9-31(37)33-25-29(15-17-39(33)57)45-53-19-7-20-54-45)23-28(27-51)24-42(44)58-38-14-5-3-10-32(38)34-26-30(16-18-40(34)58)46-55-21-8-22-56-46/h3*2-26H;2-27H;2-26H
InChIKeyQVVLOWVEXHMBAX-UHFFFAOYSA-N
XLogP69.71
TPSA332.84 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms296
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003897.02
LogP ≤ 569.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(2-pyridin-2-ylcarbazol-9-yl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile with MolForge

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Related Compounds

5-[2-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 138554689
27-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-18-phenyl-9-thia-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 155160005
18-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-27-phenyl-9-thia-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 155160006
4-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 157256819
CID 157340844
CID 157340844
CID 157377533
CID 157377533
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
N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N,N-bis[3-[2-(2,6-dimethylphenyl)thieno[3,2-c]pyridin-4-yl]-5-phenylbenzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-3-phenyl-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)furo[3,2-c]pyridin-4-yl]benzene-6-id-1-amine;tetrakis(platinum(2+))
CID 157550492
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
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-3-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-3-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole
CID 157918201

Frequently Asked Questions

What is the IUPAC name of 3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(2-pyridin-2-ylcarbazol-9-yl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
The IUPAC name of 3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(2-pyridin-2-ylcarbazol-9-yl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile (CID 160533362) is 3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(2-pyridin-2-ylcarbazol-9-yl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(2-pyridin-2-ylcarbazol-9-yl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(2-pyridin-2-ylcarbazol-9-yl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile is [C-]#[N+]c1cccc(C(F)(F)F)c1-c1c(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)cc(C#N)cc1-n1c2ccccc2c2cc(-c3ncccn3)ccc21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1c(-n2c3ccccc3c3ccc(-c4ccccn4)cc32)cc(C#N)cc1-n1c2ccccc2c2ccc(-c3ncccn3)cc21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc(C#N)cc1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc(C#N)cc1-n1c2ccccc2c2ccc3oc4ccccc4c3c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)cc(C#N)cc1-n1c2ccccc2c2ccc3sc4ccccc4c3c21.
What is the InChIKey of 3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(2-pyridin-2-ylcarbazol-9-yl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
The InChIKey is QVVLOWVEXHMBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H25F3N4O2.C51H25F3N4S2.C48H26F3N7.C47H25F3N8/c1-56-36-16-10-15-35(51(52,53)54)47(36)48-39(57-37-17-6-2-11-29(37)31-21-23-43-45(49(31)57)33-13-4-8-19-41(33)59-43)25-28(27-55)26-40(48)58-38-18-7-3-12-30(38)32-22-24-44-46(50(32)58)34-14-5-9-20-42(34)60-44;1-56-38-16-10-15-37(51(52,53)54)45(38)46-41(57-39-17-6-2-11-29(39)33-21-23-35-31-13-4-8-19-43(31)59-49(35)47(33)57)25-28(27-55)26-42(46)58-40-18-7-3-12-30(40)34-22-24-36-32-14-5-9-20-44(32)60-50(36)48(34)58;1-56-36-16-10-15-35(51(52,53)54)47(36)48-39(57-37-17-6-2-11-29(37)31-21-23-43-45(49(31)57)33-13-4-8-19-41(33)59-43)25-28(27-55)26-40(48)58-38-18-7-3-12-30(38)32-22-24-44-46(50(32)58)34-14-5-9-20-42(34)60-44;1-53-38-14-8-12-36(48(49,50)51)45(38)46-43(57-39-15-4-2-10-32(39)34-19-17-30(26-41(34)57)37-13-6-7-21-54-37)24-29(28-52)25-44(46)58-40-16-5-3-11-33(40)35-20-18-31(27-42(35)58)47-55-22-9-23-56-47;1-52-36-12-6-11-35(47(48,49)50)43(36)44-41(57-37-13-4-2-9-31(37)33-25-29(15-17-39(33)57)45-53-19-7-20-54-45)23-28(27-51)24-42(44)58-38-14-5-3-10-32(38)34-26-30(16-18-40(34)58)46-55-21-8-22-56-46/h3*2-26H;2-27H;2-26H.
What are the key properties of 3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(2-pyridin-2-ylcarbazol-9-yl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(2-pyridin-2-ylcarbazol-9-yl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile has a molecular weight of 3897.02 g/mol, XLogP of 69.71, 19 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(2-pyridin-2-ylcarbazol-9-yl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 160533362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).