14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-[2,3,4,6-tetrafluoro-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[2,3,5,6-tetrafluoro-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C259H147F11N18 — CID 158586909

IUPAC14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-[2,3,4,6-tetrafluoro-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[2,3,5,6-tetrafluoro-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESFC(F)(F)c1ccc2c3c(cccc13)-c1nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)c1-2.Fc1c(F)c(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)nc3c2-c2cccc4cccc-3c24)c(F)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c1F.Fc1c(F)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c(F)c(F)c1-c1nc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)c2c(n1)-c1cccc3cccc-2c13
InChIInChI=1S/C87H51F3N6.2C86H48F4N6/c88-87(89,90)73-42-41-67-82-66(73)27-16-28-68(82)85-83(67)84(57-17-15-22-61(47-57)96-77-32-14-10-26-65(77)72-51-56(38-46-81(72)96)54-36-44-79-70(49-54)63-24-8-12-30-75(63)94(79)59-20-5-2-6-21-59)91-86(92-85)52-33-39-60(40-34-52)95-76-31-13-9-25-64(76)71-50-55(37-45-80(71)95)53-35-43-78-69(48-53)62-23-7-11-29-74(62)93(78)58-18-3-1-4-19-58;87-79-78(80(88)82(90)85(81(79)89)96-71-35-14-10-29-61(71)67-48-53(39-43-75(67)96)51-37-41-73-65(46-51)59-27-8-12-33-69(59)94(73)56-23-5-2-6-24-56)86-91-83(77-62-30-16-18-49-19-17-31-63(76(49)62)84(77)92-86)54-20-15-25-57(44-54)95-70-34-13-9-28-60(70)66-47-52(38-42-74(66)95)50-36-40-72-64(45-50)58-26-7-11-32-68(58)93(72)55-21-3-1-4-22-55;87-79-78(80(88)85(82(90)81(79)89)96-71-32-14-10-26-61(71)67-48-54(38-44-75(67)96)53-36-42-73-65(46-53)59-24-8-12-30-69(59)94(73)56-21-5-2-6-22-56)84-77-62-27-15-17-49-18-16-28-63(76(49)62)83(77)91-86(92-84)50-33-39-57(40-34-50)95-70-31-13-9-25-60(70)66-47-52(37-43-74(66)95)51-35-41-72-64(45-51)58-23-7-11-29-68(58)93(72)55-19-3-1-4-20-55/h1-51H;2*1-48H
InChIKeyHTYCSCHOHGQQKB-UHFFFAOYSA-N
MW3720.13 g/mol
LogP69.13
Rot. Bonds24

About 14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-[2,3,4,6-tetrafluoro-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[2,3,5,6-tetrafluoro-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-[2,3,4,6-tetrafluoro-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[2,3,5,6-tetrafluoro-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 158586909) has the molecular formula C259H147F11N18 and a molecular weight of 3720.13 g/mol. Its IUPAC name is 14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-[2,3,4,6-tetrafluoro-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[2,3,5,6-tetrafluoro-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

Compound Name14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-[2,3,4,6-tetrafluoro-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[2,3,5,6-tetrafluoro-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
PubChem CID158586909
Molecular FormulaC259H147F11N18
Molecular Weight3720.13 g/mol
Exact Mass3717.19
IUPAC Name14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-[2,3,4,6-tetrafluoro-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[2,3,5,6-tetrafluoro-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESFC(F)(F)c1ccc2c3c(cccc13)-c1nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)c1-2.Fc1c(F)c(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)nc3c2-c2cccc4cccc-3c24)c(F)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c1F.Fc1c(F)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c(F)c(F)c1-c1nc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)c2c(n1)-c1cccc3cccc-2c13
InChIInChI=1S/C87H51F3N6.2C86H48F4N6/c88-87(89,90)73-42-41-67-82-66(73)27-16-28-68(82)85-83(67)84(57-17-15-22-61(47-57)96-77-32-14-10-26-65(77)72-51-56(38-46-81(72)96)54-36-44-79-70(49-54)63-24-8-12-30-75(63)94(79)59-20-5-2-6-21-59)91-86(92-85)52-33-39-60(40-34-52)95-76-31-13-9-25-64(76)71-50-55(37-45-80(71)95)53-35-43-78-69(48-53)62-23-7-11-29-74(62)93(78)58-18-3-1-4-19-58;87-79-78(80(88)82(90)85(81(79)89)96-71-35-14-10-29-61(71)67-48-53(39-43-75(67)96)51-37-41-73-65(46-51)59-27-8-12-33-69(59)94(73)56-23-5-2-6-24-56)86-91-83(77-62-30-16-18-49-19-17-31-63(76(49)62)84(77)92-86)54-20-15-25-57(44-54)95-70-34-13-9-28-60(70)66-47-52(38-42-74(66)95)50-36-40-72-64(45-50)58-26-7-11-32-68(58)93(72)55-21-3-1-4-22-55;87-79-78(80(88)85(82(90)81(79)89)96-71-32-14-10-26-61(71)67-48-54(38-44-75(67)96)53-36-42-73-65(46-53)59-24-8-12-30-69(59)94(73)56-21-5-2-6-22-56)84-77-62-27-15-17-49-18-16-28-63(76(49)62)83(77)91-86(92-84)50-33-39-57(40-34-50)95-70-31-13-9-25-60(70)66-47-52(37-43-74(66)95)51-35-41-72-64(45-51)58-23-7-11-29-68(58)93(72)55-19-3-1-4-20-55/h1-51H;2*1-48H
InChIKeyHTYCSCHOHGQQKB-UHFFFAOYSA-N
XLogP69.13
TPSA136.50 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003720.13
LogP ≤ 569.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-[2,3,4,6-tetrafluoro-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[2,3,5,6-tetrafluoro-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-Phenylphenanthro[9,10-d]imidazol-2-yl)-7-[4-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazole
CID 168340135
9-[4-(2,6-Diphenylpyrimidin-4-yl)phenyl]-6-fluoro-2-(9-phenylcarbazol-3-yl)carbazole
CID 67952386
9-[2-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 68205192
9-[2-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-3,6-difluorocarbazole
CID 68205204
9-[2-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-3,6-difluorocarbazole
CID 68205207
9-[2-[4,6-Bis(2-fluorophenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 68340669
9-[4-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-2-[2-(3,5-diphenylphenyl)carbazol-9-yl]-7-[4-[2-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 88878712
9-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-2-(2-phenylcarbazol-9-yl)-7-[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878738
9-[4,6-Bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,7-bis(2-phenylcarbazol-9-yl)carbazole
CID 88878792
9-[2-[4,6-Bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 88886975
9-[2-[4,6-Bis(4-isocyanophenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-3,6-difluorocarbazole
CID 88886977
9-[4-(2'-Carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(3,6-difluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-difluorocarbazole
CID 88886987

Frequently Asked Questions

What is the IUPAC name of 14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-[2,3,4,6-tetrafluoro-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[2,3,5,6-tetrafluoro-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The IUPAC name of 14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-[2,3,4,6-tetrafluoro-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[2,3,5,6-tetrafluoro-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 158586909) is 14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-[2,3,4,6-tetrafluoro-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[2,3,5,6-tetrafluoro-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.
What is the SMILES notation for 14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-[2,3,4,6-tetrafluoro-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[2,3,5,6-tetrafluoro-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The canonical SMILES for 14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-[2,3,4,6-tetrafluoro-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[2,3,5,6-tetrafluoro-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is FC(F)(F)c1ccc2c3c(cccc13)-c1nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)c1-2.Fc1c(F)c(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)nc3c2-c2cccc4cccc-3c24)c(F)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c1F.Fc1c(F)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c(F)c(F)c1-c1nc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)c2c(n1)-c1cccc3cccc-2c13.
What is the InChIKey of 14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-[2,3,4,6-tetrafluoro-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[2,3,5,6-tetrafluoro-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The InChIKey is HTYCSCHOHGQQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H51F3N6.2C86H48F4N6/c88-87(89,90)73-42-41-67-82-66(73)27-16-28-68(82)85-83(67)84(57-17-15-22-61(47-57)96-77-32-14-10-26-65(77)72-51-56(38-46-81(72)96)54-36-44-79-70(49-54)63-24-8-12-30-75(63)94(79)59-20-5-2-6-21-59)91-86(92-85)52-33-39-60(40-34-52)95-76-31-13-9-25-64(76)71-50-55(37-45-80(71)95)53-35-43-78-69(48-53)62-23-7-11-29-74(62)93(78)58-18-3-1-4-19-58;87-79-78(80(88)82(90)85(81(79)89)96-71-35-14-10-29-61(71)67-48-53(39-43-75(67)96)51-37-41-73-65(46-51)59-27-8-12-33-69(59)94(73)56-23-5-2-6-24-56)86-91-83(77-62-30-16-18-49-19-17-31-63(76(49)62)84(77)92-86)54-20-15-25-57(44-54)95-70-34-13-9-28-60(70)66-47-52(38-42-74(66)95)50-36-40-72-64(45-50)58-26-7-11-32-68(58)93(72)55-21-3-1-4-22-55;87-79-78(80(88)85(82(90)81(79)89)96-71-32-14-10-26-61(71)67-48-54(38-44-75(67)96)53-36-42-73-65(46-53)59-24-8-12-30-69(59)94(73)56-21-5-2-6-22-56)84-77-62-27-15-17-49-18-16-28-63(76(49)62)83(77)91-86(92-84)50-33-39-57(40-34-50)95-70-31-13-9-25-60(70)66-47-52(37-43-74(66)95)51-35-41-72-64(45-51)58-23-7-11-29-68(58)93(72)55-19-3-1-4-20-55/h1-51H;2*1-48H.
What are the key properties of 14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-[2,3,4,6-tetrafluoro-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[2,3,5,6-tetrafluoro-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-[2,3,4,6-tetrafluoro-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[2,3,5,6-tetrafluoro-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene has a molecular weight of 3720.13 g/mol, XLogP of 69.13, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-[2,3,4,6-tetrafluoro-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[2,3,5,6-tetrafluoro-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 158586909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).