12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile

C302H154F18N40O4S2 — CID 160542497

IUPAC12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
SMILES[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3cc(-c4ncccn4)ccc3c3ccc(-c4ncccn4)cc32)c([N+]#[C-])c1-n1c2cc(-c3ncccn3)ccc2c2ccc(-c3ncccn3)cc21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)c([N+]#[C-])c1-n1c2ccccc2c2cc(-c3ncccn3)ccc21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc(-c4ncccn4)cc32)c(C#N)c1-n1c2ccccc2c2ccc(-c3ncccn3)cc21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c([N+]#[C-])c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(C#N)c1-n1c2ccccc2c2ccc3oc4ccccc4c3c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(C#N)c1-n1c2ccccc2c2ccc3sc4ccccc4c3c21
InChIInChI=1S/C55H29F3N12.2C51H25F3N4O2.C51H25F3N4S2.2C47H25F3N8/c1-59-42-9-3-8-41(55(56,57)58)48(42)40-18-19-43(69-44-28-32(51-61-20-4-21-62-51)10-14-36(44)37-15-11-33(29-45(37)69)52-63-22-5-23-64-52)49(60-2)50(40)70-46-30-34(53-65-24-6-25-66-53)12-16-38(46)39-17-13-35(31-47(39)70)54-67-26-7-27-68-54;1-55-38-17-11-16-37(51(52,53)54)44(38)36-26-27-41(57-39-18-7-3-12-28(39)32-22-24-34-30-14-5-9-20-42(30)59-49(34)47(32)57)45(56-2)46(36)58-40-19-8-4-13-29(40)33-23-25-35-31-15-6-10-21-43(31)60-50(35)48(33)58;2*1-56-37-16-10-15-36(51(52,53)54)45(37)34-21-24-40(57-38-17-6-2-11-28(38)30-22-25-43-46(49(30)57)32-13-4-8-19-41(32)59-43)35(27-55)48(34)58-39-18-7-3-12-29(39)31-23-26-44-47(50(31)58)33-14-5-9-20-42(33)60-44;1-51-36-13-7-12-35(47(48,49)50)42(36)32-18-21-41(57-37-14-5-3-10-30(37)33-26-28(16-19-39(33)57)45-53-22-8-23-54-45)43(52-2)44(32)58-38-15-6-4-11-31(38)34-27-29(17-20-40(34)58)46-55-24-9-25-56-46;1-52-37-12-6-11-36(47(48,49)50)43(37)34-19-20-40(57-38-13-4-2-9-30(38)32-17-15-28(25-41(32)57)45-53-21-7-22-54-45)35(27-51)44(34)58-39-14-5-3-10-31(39)33-18-16-29(26-42(33)58)46-55-23-8-24-56-46/h3-31H;3-27H;2*2-26H;3-27H;2-26H
InChIKeyQWYZKOJXCUAHAD-UHFFFAOYSA-N
MW4812.93 g/mol
LogP83.96
Rot. Bonds26

About 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile

12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile (PubChem CID 160542497) has the molecular formula C302H154F18N40O4S2 and a molecular weight of 4812.93 g/mol. Its IUPAC name is 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
PubChem CID160542497
Molecular FormulaC302H154F18N40O4S2
Molecular Weight4812.93 g/mol
Exact Mass4809.22
IUPAC Name12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
SMILES[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3cc(-c4ncccn4)ccc3c3ccc(-c4ncccn4)cc32)c([N+]#[C-])c1-n1c2cc(-c3ncccn3)ccc2c2ccc(-c3ncccn3)cc21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)c([N+]#[C-])c1-n1c2ccccc2c2cc(-c3ncccn3)ccc21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc(-c4ncccn4)cc32)c(C#N)c1-n1c2ccccc2c2ccc(-c3ncccn3)cc21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c([N+]#[C-])c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(C#N)c1-n1c2ccccc2c2ccc3oc4ccccc4c3c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(C#N)c1-n1c2ccccc2c2ccc3sc4ccccc4c3c21
InChIInChI=1S/C55H29F3N12.2C51H25F3N4O2.C51H25F3N4S2.2C47H25F3N8/c1-59-42-9-3-8-41(55(56,57)58)48(42)40-18-19-43(69-44-28-32(51-61-20-4-21-62-51)10-14-36(44)37-15-11-33(29-45(37)69)52-63-22-5-23-64-52)49(60-2)50(40)70-46-30-34(53-65-24-6-25-66-53)12-16-38(46)39-17-13-35(31-47(39)70)54-67-26-7-27-68-54;1-55-38-17-11-16-37(51(52,53)54)44(38)36-26-27-41(57-39-18-7-3-12-28(39)32-22-24-34-30-14-5-9-20-42(30)59-49(34)47(32)57)45(56-2)46(36)58-40-19-8-4-13-29(40)33-23-25-35-31-15-6-10-21-43(31)60-50(35)48(33)58;2*1-56-37-16-10-15-36(51(52,53)54)45(37)34-21-24-40(57-38-17-6-2-11-28(38)30-22-25-43-46(49(30)57)32-13-4-8-19-41(32)59-43)35(27-55)48(34)58-39-18-7-3-12-29(39)31-23-26-44-47(50(31)58)33-14-5-9-20-42(33)60-44;1-51-36-13-7-12-35(47(48,49)50)42(36)32-18-21-41(57-37-14-5-3-10-30(37)33-26-28(16-19-39(33)57)45-53-22-8-23-54-45)43(52-2)44(32)58-38-15-6-4-11-31(38)34-27-29(17-20-40(34)58)46-55-24-9-25-56-46;1-52-37-12-6-11-36(47(48,49)50)43(37)34-19-20-40(57-38-13-4-2-9-30(38)32-17-15-28(25-41(32)57)45-53-21-7-22-54-45)35(27-51)44(34)58-39-14-5-3-10-31(39)33-18-16-29(26-42(33)58)46-55-23-8-24-56-46/h3-31H;3-27H;2*2-26H;3-27H;2-26H
InChIKeyQWYZKOJXCUAHAD-UHFFFAOYSA-N
XLogP83.96
TPSA428.57 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds26
Heavy Atoms366
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004812.93
LogP ≤ 583.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
The IUPAC name of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile (CID 160542497) is 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile is [C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3cc(-c4ncccn4)ccc3c3ccc(-c4ncccn4)cc32)c([N+]#[C-])c1-n1c2cc(-c3ncccn3)ccc2c2ccc(-c3ncccn3)cc21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)c([N+]#[C-])c1-n1c2ccccc2c2cc(-c3ncccn3)ccc21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc(-c4ncccn4)cc32)c(C#N)c1-n1c2ccccc2c2ccc(-c3ncccn3)cc21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c([N+]#[C-])c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(C#N)c1-n1c2ccccc2c2ccc3oc4ccccc4c3c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(C#N)c1-n1c2ccccc2c2ccc3sc4ccccc4c3c21.
What is the InChIKey of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
The InChIKey is QWYZKOJXCUAHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H29F3N12.2C51H25F3N4O2.C51H25F3N4S2.2C47H25F3N8/c1-59-42-9-3-8-41(55(56,57)58)48(42)40-18-19-43(69-44-28-32(51-61-20-4-21-62-51)10-14-36(44)37-15-11-33(29-45(37)69)52-63-22-5-23-64-52)49(60-2)50(40)70-46-30-34(53-65-24-6-25-66-53)12-16-38(46)39-17-13-35(31-47(39)70)54-67-26-7-27-68-54;1-55-38-17-11-16-37(51(52,53)54)44(38)36-26-27-41(57-39-18-7-3-12-28(39)32-22-24-34-30-14-5-9-20-42(30)59-49(34)47(32)57)45(56-2)46(36)58-40-19-8-4-13-29(40)33-23-25-35-31-15-6-10-21-43(31)60-50(35)48(33)58;2*1-56-37-16-10-15-36(51(52,53)54)45(37)34-21-24-40(57-38-17-6-2-11-28(38)30-22-25-43-46(49(30)57)32-13-4-8-19-41(32)59-43)35(27-55)48(34)58-39-18-7-3-12-29(39)31-23-26-44-47(50(31)58)33-14-5-9-20-42(33)60-44;1-51-36-13-7-12-35(47(48,49)50)42(36)32-18-21-41(57-37-14-5-3-10-30(37)33-26-28(16-19-39(33)57)45-53-22-8-23-54-45)43(52-2)44(32)58-38-15-6-4-11-31(38)34-27-29(17-20-40(34)58)46-55-24-9-25-56-46;1-52-37-12-6-11-36(47(48,49)50)43(37)34-19-20-40(57-38-13-4-2-9-30(38)32-17-15-28(25-41(32)57)45-53-21-7-22-54-45)35(27-51)44(34)58-39-14-5-3-10-31(39)33-18-16-29(26-42(33)58)46-55-23-8-24-56-46/h3-31H;3-27H;2*2-26H;3-27H;2-26H.
What are the key properties of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile has a molecular weight of 4812.93 g/mol, XLogP of 83.96, 26 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 160542497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).