9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-3-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-3-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-4-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole

C221H131F9N28 — CID 157416215

IUPAC9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-3-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-3-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-4-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole
SMILESFC(F)(F)c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-c4cccnc4)cc3c3cc(-c4cccnc4)ccc32)cc(-n2c3ccc(-c4cccnc4)cc3c3cc(-c4cccnc4)ccc32)c1-n1c2ccccc2c2ccccc21.FC(F)(F)c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-c4ccncc4)cc3c3cc(-c4ccncc4)ccc32)cc(-n2c3ccc(-c4ccncc4)cc3c3cc(-c4ccncc4)ccc32)c1-n1c2ccccc2c2ccccc21.FC(F)(F)c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)cc(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/2C75H45F3N8.C71H41F3N12/c76-75(77,78)72-73(85-62-21-5-1-17-54(62)55-18-2-6-22-63(55)85)70(83-66-29-25-46(50-13-9-33-79-42-50)37-58(66)59-38-47(26-30-67(59)83)51-14-10-34-80-43-51)41-71(74(72)86-64-23-7-3-19-56(64)57-20-4-8-24-65(57)86)84-68-31-27-48(52-15-11-35-81-44-52)39-60(68)61-40-49(28-32-69(61)84)53-16-12-36-82-45-53;76-75(77,78)72-73(85-62-13-5-1-9-54(62)55-10-2-6-14-63(55)85)70(83-66-21-17-50(46-25-33-79-34-26-46)41-58(66)59-42-51(18-22-67(59)83)47-27-35-80-36-28-47)45-71(74(72)86-64-15-7-3-11-56(64)57-12-4-8-16-65(57)86)84-68-23-19-52(48-29-37-81-38-30-48)43-60(68)61-44-53(20-24-69(61)84)49-31-39-82-40-32-49;72-71(73,74)64-65(85-54-17-5-1-13-46(54)47-14-2-6-18-55(47)85)62(83-58-25-21-42(67-75-29-9-30-76-67)37-50(58)51-38-43(22-26-59(51)83)68-77-31-10-32-78-68)41-63(66(64)86-56-19-7-3-15-48(56)49-16-4-8-20-57(49)86)84-60-27-23-44(69-79-33-11-34-80-69)39-52(60)53-40-45(24-28-61(53)84)70-81-35-12-36-82-70/h2*1-45H;1-41H
InChIKeyBOWLXXFIGMFXIS-UHFFFAOYSA-N
MW3349.66 g/mol
LogP55.61
Rot. Bonds24

About 9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-3-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-3-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-4-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole

9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-3-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-3-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-4-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole (PubChem CID 157416215) has the molecular formula C221H131F9N28 and a molecular weight of 3349.66 g/mol. Its IUPAC name is 9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-3-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-3-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-4-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole.

Molecular Properties

Compound Name9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-3-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-3-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-4-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole
PubChem CID157416215
Molecular FormulaC221H131F9N28
Molecular Weight3349.66 g/mol
Exact Mass3347.10
IUPAC Name9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-3-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-3-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-4-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole
SMILESFC(F)(F)c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-c4cccnc4)cc3c3cc(-c4cccnc4)ccc32)cc(-n2c3ccc(-c4cccnc4)cc3c3cc(-c4cccnc4)ccc32)c1-n1c2ccccc2c2ccccc21.FC(F)(F)c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-c4ccncc4)cc3c3cc(-c4ccncc4)ccc32)cc(-n2c3ccc(-c4ccncc4)cc3c3cc(-c4ccncc4)ccc32)c1-n1c2ccccc2c2ccccc21.FC(F)(F)c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)cc(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/2C75H45F3N8.C71H41F3N12/c76-75(77,78)72-73(85-62-21-5-1-17-54(62)55-18-2-6-22-63(55)85)70(83-66-29-25-46(50-13-9-33-79-42-50)37-58(66)59-38-47(26-30-67(59)83)51-14-10-34-80-43-51)41-71(74(72)86-64-23-7-3-19-56(64)57-20-4-8-24-65(57)86)84-68-31-27-48(52-15-11-35-81-44-52)39-60(68)61-40-49(28-32-69(61)84)53-16-12-36-82-45-53;76-75(77,78)72-73(85-62-13-5-1-9-54(62)55-10-2-6-14-63(55)85)70(83-66-21-17-50(46-25-33-79-34-26-46)41-58(66)59-42-51(18-22-67(59)83)47-27-35-80-36-28-47)45-71(74(72)86-64-15-7-3-11-56(64)57-12-4-8-16-65(57)86)84-68-23-19-52(48-29-37-81-38-30-48)43-60(68)61-44-53(20-24-69(61)84)49-31-39-82-40-32-49;72-71(73,74)64-65(85-54-17-5-1-13-46(54)47-14-2-6-18-55(47)85)62(83-58-25-21-42(67-75-29-9-30-76-67)37-50(58)51-38-43(22-26-59(51)83)68-77-31-10-32-78-68)41-63(66(64)86-56-19-7-3-15-48(56)49-16-4-8-20-57(49)86)84-60-27-23-44(69-79-33-11-34-80-69)39-52(60)53-40-45(24-28-61(53)84)70-81-35-12-36-82-70/h2*1-45H;1-41H
InChIKeyBOWLXXFIGMFXIS-UHFFFAOYSA-N
XLogP55.61
TPSA265.40 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms258
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003349.66
LogP ≤ 555.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-3-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-3-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-4-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole with MolForge

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Related Compounds

3,6-bis[5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]-9-[4-(4-methylpiperazin-1-yl)butyl]carbazole
CID 137100819
9-[2,3,4,5-Tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121401498
bis(2-pyridin-2-ylpyridine);ruthenium;2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
CID 59456371
6-[(2R,5R)-1-[3,5-difluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]-5-[6-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 66630776
9-[4-[3-[6-Phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole
CID 67949352
2-(2-Adamantyl)-9-[3-[2-(2-adamantyl)-6-ethylpyrimido[4,5-b]indol-9-yl]-5-(trifluoromethyl)phenyl]-6-ethylpyrimido[4,5-b]indole
CID 67988504
5-Phenyl-7-[4-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]pyridin-2-yl]-3-(trifluoromethyl)indolo[2,3-b]carbazole
CID 68082641
3-[2-[4-Methyl-1-(9-phenylcarbazol-3-yl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]-9-phenylcarbazole
CID 70906150
3-(4-Fluorophenyl)-2-[3-[3-(4-fluorophenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenyl]imidazo[4,5-f][1,10]phenanthroline
CID 74538788
1,7-Diphenyl-5-(trifluoromethyl)benzimidazole;1-phenyl-2-pyridin-3-yl-5-(trifluoromethyl)benzimidazole
CID 87418831
9-Phenyl-3-[2-[1-(9-phenylcarbazol-3-yl)-4-(trifluoromethyl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]carbazole
CID 87849614
6-[(1S,2S)-1-[3,5-difluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]-1-[6-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-1-ium-2-yl]-5-fluoro-2-pyrrolidin-2-yl-1H-benzimidazole
CID 88920113

Frequently Asked Questions

What is the IUPAC name of 9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-3-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-3-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-4-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole?
The IUPAC name of 9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-3-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-3-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-4-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole (CID 157416215) is 9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-3-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-3-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-4-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole.
What is the SMILES notation for 9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-3-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-3-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-4-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole?
The canonical SMILES for 9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-3-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-3-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-4-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole is FC(F)(F)c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-c4cccnc4)cc3c3cc(-c4cccnc4)ccc32)cc(-n2c3ccc(-c4cccnc4)cc3c3cc(-c4cccnc4)ccc32)c1-n1c2ccccc2c2ccccc21.FC(F)(F)c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-c4ccncc4)cc3c3cc(-c4ccncc4)ccc32)cc(-n2c3ccc(-c4ccncc4)cc3c3cc(-c4ccncc4)ccc32)c1-n1c2ccccc2c2ccccc21.FC(F)(F)c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)cc(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-3-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-3-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-4-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole?
The InChIKey is BOWLXXFIGMFXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C75H45F3N8.C71H41F3N12/c76-75(77,78)72-73(85-62-21-5-1-17-54(62)55-18-2-6-22-63(55)85)70(83-66-29-25-46(50-13-9-33-79-42-50)37-58(66)59-38-47(26-30-67(59)83)51-14-10-34-80-43-51)41-71(74(72)86-64-23-7-3-19-56(64)57-20-4-8-24-65(57)86)84-68-31-27-48(52-15-11-35-81-44-52)39-60(68)61-40-49(28-32-69(61)84)53-16-12-36-82-45-53;76-75(77,78)72-73(85-62-13-5-1-9-54(62)55-10-2-6-14-63(55)85)70(83-66-21-17-50(46-25-33-79-34-26-46)41-58(66)59-42-51(18-22-67(59)83)47-27-35-80-36-28-47)45-71(74(72)86-64-15-7-3-11-56(64)57-12-4-8-16-65(57)86)84-68-23-19-52(48-29-37-81-38-30-48)43-60(68)61-44-53(20-24-69(61)84)49-31-39-82-40-32-49;72-71(73,74)64-65(85-54-17-5-1-13-46(54)47-14-2-6-18-55(47)85)62(83-58-25-21-42(67-75-29-9-30-76-67)37-50(58)51-38-43(22-26-59(51)83)68-77-31-10-32-78-68)41-63(66(64)86-56-19-7-3-15-48(56)49-16-4-8-20-57(49)86)84-60-27-23-44(69-79-33-11-34-80-69)39-52(60)53-40-45(24-28-61(53)84)70-81-35-12-36-82-70/h2*1-45H;1-41H.
What are the key properties of 9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-3-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-3-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-4-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole?
9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-3-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-3-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-4-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole has a molecular weight of 3349.66 g/mol, XLogP of 55.61, 24 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-3-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-3-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-(trifluoromethyl)phenyl]-3,6-dipyridin-4-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole is sourced from PubChem (CID 157416215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).