N,N-bis[4-(4-tert-butylphenyl)phenyl]-7-(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazol-4-amine;N,7-bis(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine

C292H198F6N26O2S6 — CID 158509417

IUPACN,N-bis[4-(4-tert-butylphenyl)phenyl]-7-(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazol-4-amine;N,7-bis(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4nsnc34)cc2)cc1.FC(F)(F)c1ccc(-c2ccc(N(c3ccc(C(F)(F)F)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4nsnc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4nsnc34)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3nsnc23)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3nsnc23)cc1.c1ccc(N(c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3nsnc23)cc1
InChIInChI=1S/C56H48N4S.C48H31N5OS.C48H31N5S.C48H30N4OS.C48H32N4S.C44H26F6N4S/c1-55(2,3)42-25-15-37(16-26-42)39-19-29-44(30-20-39)59(45-31-21-40(22-32-45)38-17-27-43(28-18-38)56(4,5)6)52-36-35-47(53-54(52)58-61-57-53)41-23-33-46(34-24-41)60-50-13-9-7-11-48(50)49-12-8-10-14-51(49)60;1-2-12-33(13-3-1)51(34-26-28-36(29-27-34)53-42-18-8-10-20-45(42)54-46-21-11-9-19-43(46)53)44-31-30-37(47-48(44)50-55-49-47)32-22-24-35(25-23-32)52-40-16-6-4-14-38(40)39-15-5-7-17-41(39)52;1-2-12-33(13-3-1)51(34-26-28-36(29-27-34)53-44-20-10-6-16-40(44)41-17-7-11-21-45(41)53)46-31-30-37(47-48(46)50-54-49-47)32-22-24-35(25-23-32)52-42-18-8-4-14-38(42)39-15-5-9-19-43(39)52;1-2-10-34(11-3-1)51(35-23-18-31(19-24-35)33-22-27-41-40-14-6-9-17-45(40)53-46(41)30-33)44-29-28-37(47-48(44)50-54-49-47)32-20-25-36(26-21-32)52-42-15-7-4-12-38(42)39-13-5-8-16-43(39)52;1-3-11-33(12-4-1)35-19-25-38(26-20-35)51(39-27-21-36(22-28-39)34-13-5-2-6-14-34)46-32-31-41(47-48(46)50-53-49-47)37-23-29-40(30-24-37)52-44-17-9-7-15-42(44)43-16-8-10-18-45(43)52;45-43(46,47)30-15-9-27(10-16-30)28-11-19-32(20-12-28)53(33-23-17-31(18-24-33)44(48,49)50)40-26-25-35(41-42(40)52-55-51-41)29-13-21-34(22-14-29)54-38-7-3-1-5-36(38)37-6-2-4-8-39(37)54/h7-36H,1-6H3;1-31H;1-31H;1-30H;1-32H;1-26H
InChIKeyHKWDAAMQGVSVRU-UHFFFAOYSA-N
MW4409.37 g/mol
LogP82.76
Rot. Bonds38

About N,N-bis[4-(4-tert-butylphenyl)phenyl]-7-(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazol-4-amine;N,7-bis(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine

N,N-bis[4-(4-tert-butylphenyl)phenyl]-7-(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazol-4-amine;N,7-bis(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine (PubChem CID 158509417) has the molecular formula C292H198F6N26O2S6 and a molecular weight of 4409.37 g/mol. Its IUPAC name is N,N-bis[4-(4-tert-butylphenyl)phenyl]-7-(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazol-4-amine;N,7-bis(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound NameN,N-bis[4-(4-tert-butylphenyl)phenyl]-7-(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazol-4-amine;N,7-bis(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine
PubChem CID158509417
Molecular FormulaC292H198F6N26O2S6
Molecular Weight4409.37 g/mol
Exact Mass4405.44
IUPAC NameN,N-bis[4-(4-tert-butylphenyl)phenyl]-7-(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazol-4-amine;N,7-bis(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4nsnc34)cc2)cc1.FC(F)(F)c1ccc(-c2ccc(N(c3ccc(C(F)(F)F)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4nsnc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4nsnc34)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3nsnc23)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3nsnc23)cc1.c1ccc(N(c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3nsnc23)cc1
InChIInChI=1S/C56H48N4S.C48H31N5OS.C48H31N5S.C48H30N4OS.C48H32N4S.C44H26F6N4S/c1-55(2,3)42-25-15-37(16-26-42)39-19-29-44(30-20-39)59(45-31-21-40(22-32-45)38-17-27-43(28-18-38)56(4,5)6)52-36-35-47(53-54(52)58-61-57-53)41-23-33-46(34-24-41)60-50-13-9-7-11-48(50)49-12-8-10-14-51(49)60;1-2-12-33(13-3-1)51(34-26-28-36(29-27-34)53-42-18-8-10-20-45(42)54-46-21-11-9-19-43(46)53)44-31-30-37(47-48(44)50-55-49-47)32-22-24-35(25-23-32)52-40-16-6-4-14-38(40)39-15-5-7-17-41(39)52;1-2-12-33(13-3-1)51(34-26-28-36(29-27-34)53-44-20-10-6-16-40(44)41-17-7-11-21-45(41)53)46-31-30-37(47-48(46)50-54-49-47)32-22-24-35(25-23-32)52-42-18-8-4-14-38(42)39-15-5-9-19-43(39)52;1-2-10-34(11-3-1)51(35-23-18-31(19-24-35)33-22-27-41-40-14-6-9-17-45(40)53-46(41)30-33)44-29-28-37(47-48(44)50-54-49-47)32-20-25-36(26-21-32)52-42-15-7-4-12-38(42)39-13-5-8-16-43(39)52;1-3-11-33(12-4-1)35-19-25-38(26-20-35)51(39-27-21-36(22-28-39)34-13-5-2-6-14-34)46-32-31-41(47-48(46)50-53-49-47)37-23-29-40(30-24-37)52-44-17-9-7-15-42(44)43-16-8-10-18-45(43)52;45-43(46,47)30-15-9-27(10-16-30)28-11-19-32(20-12-28)53(33-23-17-31(18-24-33)44(48,49)50)40-26-25-35(41-42(40)52-55-51-41)29-13-21-34(22-14-29)54-38-7-3-1-5-36(38)37-6-2-4-8-39(37)54/h7-36H,1-6H3;1-31H;1-31H;1-30H;1-32H;1-26H
InChIKeyHKWDAAMQGVSVRU-UHFFFAOYSA-N
XLogP82.76
TPSA234.24 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds38
Heavy Atoms332
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004409.37
LogP ≤ 582.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze N,N-bis[4-(4-tert-butylphenyl)phenyl]-7-(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazol-4-amine;N,7-bis(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine with MolForge

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Related Compounds

3-Dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole
CID 138715439
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
CID 145756906
N,N-bis(4-dibenzofuran-3-ylphenyl)-7-[4-(3,6-difluorocarbazol-9-yl)phenyl]-2,1,3-benzothiadiazol-4-amine
CID 146251075
7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 146251091
N-(4-dibenzofuran-3-ylphenyl)-7-[4-(3,6-difluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 146251127
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 153511442
7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 155135823
2,3,5-Tri(carbazol-9-yl)-6-[2-(trifluoromethyl)-[1]benzofuro[2,3-a]carbazol-12-yl]benzene-1,4-dicarbonitrile
CID 156358010
2,3,5-Tri(carbazol-9-yl)-6-[3-(trifluoromethyl)-[1]benzofuro[2,3-a]carbazol-12-yl]benzene-1,4-dicarbonitrile
CID 156358203
7-[4-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N,N-bis[3-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N-(3-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-(17-naphthalen-2-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-21-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]-N-[3-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine
CID 157518063
N-dibenzofuran-2-yl-7-[4-(7-dibenzofuran-3-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2(10),4(9),5,7,11,13,15,17,19,21,23-dodecaen-3-yl)phenyl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-(17-naphthalen-2-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-21-yl)phenyl]-N-(3-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-(17-naphthalen-2-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-21-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]-N-[3-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine
CID 158216404
3,5-Bis(benzo[a]carbazol-11-yl)-2,4,6-tris(2-carbazol-9-ylphenyl)benzonitrile;2,4,6-tri(dibenzofuran-4-yl)-3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2,4,6-tris(2-carbazol-9-ylphenyl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 159211954

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(4-tert-butylphenyl)phenyl]-7-(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazol-4-amine;N,7-bis(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of N,N-bis[4-(4-tert-butylphenyl)phenyl]-7-(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazol-4-amine;N,7-bis(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine (CID 158509417) is N,N-bis[4-(4-tert-butylphenyl)phenyl]-7-(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazol-4-amine;N,7-bis(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for N,N-bis[4-(4-tert-butylphenyl)phenyl]-7-(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazol-4-amine;N,7-bis(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for N,N-bis[4-(4-tert-butylphenyl)phenyl]-7-(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazol-4-amine;N,7-bis(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine is CC(C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4nsnc34)cc2)cc1.FC(F)(F)c1ccc(-c2ccc(N(c3ccc(C(F)(F)F)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4nsnc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4nsnc34)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3nsnc23)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3nsnc23)cc1.c1ccc(N(c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3nsnc23)cc1.
What is the InChIKey of N,N-bis[4-(4-tert-butylphenyl)phenyl]-7-(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazol-4-amine;N,7-bis(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine?
The InChIKey is HKWDAAMQGVSVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H48N4S.C48H31N5OS.C48H31N5S.C48H30N4OS.C48H32N4S.C44H26F6N4S/c1-55(2,3)42-25-15-37(16-26-42)39-19-29-44(30-20-39)59(45-31-21-40(22-32-45)38-17-27-43(28-18-38)56(4,5)6)52-36-35-47(53-54(52)58-61-57-53)41-23-33-46(34-24-41)60-50-13-9-7-11-48(50)49-12-8-10-14-51(49)60;1-2-12-33(13-3-1)51(34-26-28-36(29-27-34)53-42-18-8-10-20-45(42)54-46-21-11-9-19-43(46)53)44-31-30-37(47-48(44)50-55-49-47)32-22-24-35(25-23-32)52-40-16-6-4-14-38(40)39-15-5-7-17-41(39)52;1-2-12-33(13-3-1)51(34-26-28-36(29-27-34)53-44-20-10-6-16-40(44)41-17-7-11-21-45(41)53)46-31-30-37(47-48(46)50-54-49-47)32-22-24-35(25-23-32)52-42-18-8-4-14-38(42)39-15-5-9-19-43(39)52;1-2-10-34(11-3-1)51(35-23-18-31(19-24-35)33-22-27-41-40-14-6-9-17-45(40)53-46(41)30-33)44-29-28-37(47-48(44)50-54-49-47)32-20-25-36(26-21-32)52-42-15-7-4-12-38(42)39-13-5-8-16-43(39)52;1-3-11-33(12-4-1)35-19-25-38(26-20-35)51(39-27-21-36(22-28-39)34-13-5-2-6-14-34)46-32-31-41(47-48(46)50-53-49-47)37-23-29-40(30-24-37)52-44-17-9-7-15-42(44)43-16-8-10-18-45(43)52;45-43(46,47)30-15-9-27(10-16-30)28-11-19-32(20-12-28)53(33-23-17-31(18-24-33)44(48,49)50)40-26-25-35(41-42(40)52-55-51-41)29-13-21-34(22-14-29)54-38-7-3-1-5-36(38)37-6-2-4-8-39(37)54/h7-36H,1-6H3;1-31H;1-31H;1-30H;1-32H;1-26H.
What are the key properties of N,N-bis[4-(4-tert-butylphenyl)phenyl]-7-(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazol-4-amine;N,7-bis(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine?
N,N-bis[4-(4-tert-butylphenyl)phenyl]-7-(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazol-4-amine;N,7-bis(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine has a molecular weight of 4409.37 g/mol, XLogP of 82.76, 38 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(4-tert-butylphenyl)phenyl]-7-(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazol-4-amine;N,7-bis(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-(4-carbazol-9-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 158509417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).