9,9-dimethyl-10-(9-phenylcarbazol-3-yl)acridine;5-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;2,6-diphenylfuro[2,3-f][1]benzofuran;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;4-thiophen-3-yl-N,N-bis(4-thiophen-3-ylphenyl)aniline;4-(4-thiophen-3-ylphenyl)-N,N-bis[4-(4-thiophen-3-ylphenyl)phenyl]aniline;5-(8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene

C301H192F3N11O12S6 — CID 158071674

IUPAC9,9-dimethyl-10-(9-phenylcarbazol-3-yl)acridine;5-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;2,6-diphenylfuro[2,3-f][1]benzofuran;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;4-thiophen-3-yl-N,N-bis(4-thiophen-3-ylphenyl)aniline;4-(4-thiophen-3-ylphenyl)-N,N-bis[4-(4-thiophen-3-ylphenyl)phenyl]aniline;5-(8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc21.Fc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(F)cc5)cc4)cc(-c4ccc(-c5ccc(F)cc5)cc4)c3)cc2)cc1.c1cc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccsc6)cc5)cc4)c4ccc(-c5ccc(-c6ccsc6)cc5)cc4)cc3)cc2)cs1.c1cc(-c2ccc(N(c3ccc(-c4ccsc4)cc3)c3ccc(-c4ccsc4)cc3)cc2)cs1.c1cc2c3c(c1)Oc1cc(-c4cc5c6c(c4)Oc4cccc7c4N6c4c(cccc4O5)O7)cc4c1N3c1c(cccc1O4)O2.c1ccc(-c2cc3cc4oc(-c5ccccc5)cc4cc3o2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)ccc32)cc1.c1ccc2c(c1)Oc1cccc3c1N2c1ccc(-c2ccc4c(c2)Oc2cccc5c2N4c2ccccc2O5)cc1O3
InChIInChI=1S/C54H35N3.C48H33NS3.C42H27F3.C36H16N2O6.C36H20N2O4.C33H26N2.C30H21NS3.C22H14O2/c1-4-14-40(15-5-1)55-49-22-12-10-20-43(49)45-32-36(24-28-51(45)55)38-26-30-53-47(34-38)48-35-39(27-31-54(48)57(53)42-18-8-3-9-19-42)37-25-29-52-46(33-37)44-21-11-13-23-50(44)56(52)41-16-6-2-7-17-41;1-7-40(43-25-28-50-31-43)8-2-34(1)37-13-19-46(20-14-37)49(47-21-15-38(16-22-47)35-3-9-41(10-4-35)44-26-29-51-32-44)48-23-17-39(18-24-48)36-5-11-42(12-6-36)45-27-30-52-33-45;43-40-19-13-31(14-20-40)28-1-7-34(8-2-28)37-25-38(35-9-3-29(4-10-35)32-15-21-41(44)22-16-32)27-39(26-37)36-11-5-30(6-12-36)33-17-23-42(45)24-18-33;1-5-19-31-23(9-1)41-27-13-17(14-28-35(27)37(31)32-20(39-19)6-2-10-24(32)42-28)18-15-29-36-30(16-18)44-26-12-4-8-22-34(26)38(36)33-21(40-22)7-3-11-25(33)43-29;1-3-9-27-23(7-1)37-25-17-15-21(19-33(25)41-31-13-5-11-29(39-27)35(31)37)22-16-18-26-34(20-22)42-32-14-6-12-30-36(32)38(26)24-8-2-4-10-28(24)40-30;1-33(2)27-15-7-10-18-31(27)35(32-19-11-8-16-28(32)33)24-20-21-30-26(22-24)25-14-6-9-17-29(25)34(30)23-12-4-3-5-13-23;1-7-28(8-2-22(1)25-13-16-32-19-25)31(29-9-3-23(4-10-29)26-14-17-33-20-26)30-11-5-24(6-12-30)27-15-18-34-21-27;1-3-7-15(8-4-1)19-11-17-13-22-18(14-21(17)23-19)12-20(24-22)16-9-5-2-6-10-16/h1-35H;1-33H;1-27H;1-16H;1-20H;3-22H,1-2H3;1-21H;1-14H
InChIKeyFLWVSLVHGKTYBN-UHFFFAOYSA-N
MW4404.31 g/mol
LogP89.15
Rot. Bonds32

About 9,9-dimethyl-10-(9-phenylcarbazol-3-yl)acridine;5-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;2,6-diphenylfuro[2,3-f][1]benzofuran;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;4-thiophen-3-yl-N,N-bis(4-thiophen-3-ylphenyl)aniline;4-(4-thiophen-3-ylphenyl)-N,N-bis[4-(4-thiophen-3-ylphenyl)phenyl]aniline;5-(8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene

9,9-dimethyl-10-(9-phenylcarbazol-3-yl)acridine;5-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;2,6-diphenylfuro[2,3-f][1]benzofuran;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;4-thiophen-3-yl-N,N-bis(4-thiophen-3-ylphenyl)aniline;4-(4-thiophen-3-ylphenyl)-N,N-bis[4-(4-thiophen-3-ylphenyl)phenyl]aniline;5-(8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene (PubChem CID 158071674) has the molecular formula C301H192F3N11O12S6 and a molecular weight of 4404.31 g/mol. Its IUPAC name is 9,9-dimethyl-10-(9-phenylcarbazol-3-yl)acridine;5-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;2,6-diphenylfuro[2,3-f][1]benzofuran;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;4-thiophen-3-yl-N,N-bis(4-thiophen-3-ylphenyl)aniline;4-(4-thiophen-3-ylphenyl)-N,N-bis[4-(4-thiophen-3-ylphenyl)phenyl]aniline;5-(8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene.

Molecular Properties

Compound Name9,9-dimethyl-10-(9-phenylcarbazol-3-yl)acridine;5-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;2,6-diphenylfuro[2,3-f][1]benzofuran;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;4-thiophen-3-yl-N,N-bis(4-thiophen-3-ylphenyl)aniline;4-(4-thiophen-3-ylphenyl)-N,N-bis[4-(4-thiophen-3-ylphenyl)phenyl]aniline;5-(8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene
PubChem CID158071674
Molecular FormulaC301H192F3N11O12S6
Molecular Weight4404.31 g/mol
Exact Mass4400.30
IUPAC Name9,9-dimethyl-10-(9-phenylcarbazol-3-yl)acridine;5-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;2,6-diphenylfuro[2,3-f][1]benzofuran;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;4-thiophen-3-yl-N,N-bis(4-thiophen-3-ylphenyl)aniline;4-(4-thiophen-3-ylphenyl)-N,N-bis[4-(4-thiophen-3-ylphenyl)phenyl]aniline;5-(8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc21.Fc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(F)cc5)cc4)cc(-c4ccc(-c5ccc(F)cc5)cc4)c3)cc2)cc1.c1cc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccsc6)cc5)cc4)c4ccc(-c5ccc(-c6ccsc6)cc5)cc4)cc3)cc2)cs1.c1cc(-c2ccc(N(c3ccc(-c4ccsc4)cc3)c3ccc(-c4ccsc4)cc3)cc2)cs1.c1cc2c3c(c1)Oc1cc(-c4cc5c6c(c4)Oc4cccc7c4N6c4c(cccc4O5)O7)cc4c1N3c1c(cccc1O4)O2.c1ccc(-c2cc3cc4oc(-c5ccccc5)cc4cc3o2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)ccc32)cc1.c1ccc2c(c1)Oc1cccc3c1N2c1ccc(-c2ccc4c(c2)Oc2cccc5c2N4c2ccccc2O5)cc1O3
InChIInChI=1S/C54H35N3.C48H33NS3.C42H27F3.C36H16N2O6.C36H20N2O4.C33H26N2.C30H21NS3.C22H14O2/c1-4-14-40(15-5-1)55-49-22-12-10-20-43(49)45-32-36(24-28-51(45)55)38-26-30-53-47(34-38)48-35-39(27-31-54(48)57(53)42-18-8-3-9-19-42)37-25-29-52-46(33-37)44-21-11-13-23-50(44)56(52)41-16-6-2-7-17-41;1-7-40(43-25-28-50-31-43)8-2-34(1)37-13-19-46(20-14-37)49(47-21-15-38(16-22-47)35-3-9-41(10-4-35)44-26-29-51-32-44)48-23-17-39(18-24-48)36-5-11-42(12-6-36)45-27-30-52-33-45;43-40-19-13-31(14-20-40)28-1-7-34(8-2-28)37-25-38(35-9-3-29(4-10-35)32-15-21-41(44)22-16-32)27-39(26-37)36-11-5-30(6-12-36)33-17-23-42(45)24-18-33;1-5-19-31-23(9-1)41-27-13-17(14-28-35(27)37(31)32-20(39-19)6-2-10-24(32)42-28)18-15-29-36-30(16-18)44-26-12-4-8-22-34(26)38(36)33-21(40-22)7-3-11-25(33)43-29;1-3-9-27-23(7-1)37-25-17-15-21(19-33(25)41-31-13-5-11-29(39-27)35(31)37)22-16-18-26-34(20-22)42-32-14-6-12-30-36(32)38(26)24-8-2-4-10-28(24)40-30;1-33(2)27-15-7-10-18-31(27)35(32-19-11-8-16-28(32)33)24-20-21-30-26(22-24)25-14-6-9-17-29(25)34(30)23-12-4-3-5-13-23;1-7-28(8-2-22(1)25-13-16-32-19-25)31(29-9-3-23(4-10-29)26-14-17-33-20-26)30-11-5-24(6-12-30)27-15-18-34-21-27;1-3-7-15(8-4-1)19-11-17-13-22-18(14-21(17)23-19)12-20(24-22)16-9-5-2-6-10-16/h1-35H;1-33H;1-27H;1-16H;1-20H;3-22H,1-2H3;1-21H;1-14H
InChIKeyFLWVSLVHGKTYBN-UHFFFAOYSA-N
XLogP89.15
TPSA160.98 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds32
Heavy Atoms333
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004404.31
LogP ≤ 589.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 9,9-dimethyl-10-(9-phenylcarbazol-3-yl)acridine;5-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;2,6-diphenylfuro[2,3-f][1]benzofuran;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;4-thiophen-3-yl-N,N-bis(4-thiophen-3-ylphenyl)aniline;4-(4-thiophen-3-ylphenyl)-N,N-bis[4-(4-thiophen-3-ylphenyl)phenyl]aniline;5-(8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-(9-phenylcarbazol-3-yl)acridine;5-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;2,6-diphenylfuro[2,3-f][1]benzofuran;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;4-thiophen-3-yl-N,N-bis(4-thiophen-3-ylphenyl)aniline;4-(4-thiophen-3-ylphenyl)-N,N-bis[4-(4-thiophen-3-ylphenyl)phenyl]aniline;5-(8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene?
The IUPAC name of 9,9-dimethyl-10-(9-phenylcarbazol-3-yl)acridine;5-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;2,6-diphenylfuro[2,3-f][1]benzofuran;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;4-thiophen-3-yl-N,N-bis(4-thiophen-3-ylphenyl)aniline;4-(4-thiophen-3-ylphenyl)-N,N-bis[4-(4-thiophen-3-ylphenyl)phenyl]aniline;5-(8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene (CID 158071674) is 9,9-dimethyl-10-(9-phenylcarbazol-3-yl)acridine;5-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;2,6-diphenylfuro[2,3-f][1]benzofuran;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;4-thiophen-3-yl-N,N-bis(4-thiophen-3-ylphenyl)aniline;4-(4-thiophen-3-ylphenyl)-N,N-bis[4-(4-thiophen-3-ylphenyl)phenyl]aniline;5-(8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene.
What is the SMILES notation for 9,9-dimethyl-10-(9-phenylcarbazol-3-yl)acridine;5-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;2,6-diphenylfuro[2,3-f][1]benzofuran;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;4-thiophen-3-yl-N,N-bis(4-thiophen-3-ylphenyl)aniline;4-(4-thiophen-3-ylphenyl)-N,N-bis[4-(4-thiophen-3-ylphenyl)phenyl]aniline;5-(8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene?
The canonical SMILES for 9,9-dimethyl-10-(9-phenylcarbazol-3-yl)acridine;5-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;2,6-diphenylfuro[2,3-f][1]benzofuran;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;4-thiophen-3-yl-N,N-bis(4-thiophen-3-ylphenyl)aniline;4-(4-thiophen-3-ylphenyl)-N,N-bis[4-(4-thiophen-3-ylphenyl)phenyl]aniline;5-(8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene is CC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc21.Fc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(F)cc5)cc4)cc(-c4ccc(-c5ccc(F)cc5)cc4)c3)cc2)cc1.c1cc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccsc6)cc5)cc4)c4ccc(-c5ccc(-c6ccsc6)cc5)cc4)cc3)cc2)cs1.c1cc(-c2ccc(N(c3ccc(-c4ccsc4)cc3)c3ccc(-c4ccsc4)cc3)cc2)cs1.c1cc2c3c(c1)Oc1cc(-c4cc5c6c(c4)Oc4cccc7c4N6c4c(cccc4O5)O7)cc4c1N3c1c(cccc1O4)O2.c1ccc(-c2cc3cc4oc(-c5ccccc5)cc4cc3o2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)ccc32)cc1.c1ccc2c(c1)Oc1cccc3c1N2c1ccc(-c2ccc4c(c2)Oc2cccc5c2N4c2ccccc2O5)cc1O3.
What is the InChIKey of 9,9-dimethyl-10-(9-phenylcarbazol-3-yl)acridine;5-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;2,6-diphenylfuro[2,3-f][1]benzofuran;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;4-thiophen-3-yl-N,N-bis(4-thiophen-3-ylphenyl)aniline;4-(4-thiophen-3-ylphenyl)-N,N-bis[4-(4-thiophen-3-ylphenyl)phenyl]aniline;5-(8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene?
The InChIKey is FLWVSLVHGKTYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3.C48H33NS3.C42H27F3.C36H16N2O6.C36H20N2O4.C33H26N2.C30H21NS3.C22H14O2/c1-4-14-40(15-5-1)55-49-22-12-10-20-43(49)45-32-36(24-28-51(45)55)38-26-30-53-47(34-38)48-35-39(27-31-54(48)57(53)42-18-8-3-9-19-42)37-25-29-52-46(33-37)44-21-11-13-23-50(44)56(52)41-16-6-2-7-17-41;1-7-40(43-25-28-50-31-43)8-2-34(1)37-13-19-46(20-14-37)49(47-21-15-38(16-22-47)35-3-9-41(10-4-35)44-26-29-51-32-44)48-23-17-39(18-24-48)36-5-11-42(12-6-36)45-27-30-52-33-45;43-40-19-13-31(14-20-40)28-1-7-34(8-2-28)37-25-38(35-9-3-29(4-10-35)32-15-21-41(44)22-16-32)27-39(26-37)36-11-5-30(6-12-36)33-17-23-42(45)24-18-33;1-5-19-31-23(9-1)41-27-13-17(14-28-35(27)37(31)32-20(39-19)6-2-10-24(32)42-28)18-15-29-36-30(16-18)44-26-12-4-8-22-34(26)38(36)33-21(40-22)7-3-11-25(33)43-29;1-3-9-27-23(7-1)37-25-17-15-21(19-33(25)41-31-13-5-11-29(39-27)35(31)37)22-16-18-26-34(20-22)42-32-14-6-12-30-36(32)38(26)24-8-2-4-10-28(24)40-30;1-33(2)27-15-7-10-18-31(27)35(32-19-11-8-16-28(32)33)24-20-21-30-26(22-24)25-14-6-9-17-29(25)34(30)23-12-4-3-5-13-23;1-7-28(8-2-22(1)25-13-16-32-19-25)31(29-9-3-23(4-10-29)26-14-17-33-20-26)30-11-5-24(6-12-30)27-15-18-34-21-27;1-3-7-15(8-4-1)19-11-17-13-22-18(14-21(17)23-19)12-20(24-22)16-9-5-2-6-10-16/h1-35H;1-33H;1-27H;1-16H;1-20H;3-22H,1-2H3;1-21H;1-14H.
What are the key properties of 9,9-dimethyl-10-(9-phenylcarbazol-3-yl)acridine;5-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;2,6-diphenylfuro[2,3-f][1]benzofuran;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;4-thiophen-3-yl-N,N-bis(4-thiophen-3-ylphenyl)aniline;4-(4-thiophen-3-ylphenyl)-N,N-bis[4-(4-thiophen-3-ylphenyl)phenyl]aniline;5-(8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene?
9,9-dimethyl-10-(9-phenylcarbazol-3-yl)acridine;5-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;2,6-diphenylfuro[2,3-f][1]benzofuran;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;4-thiophen-3-yl-N,N-bis(4-thiophen-3-ylphenyl)aniline;4-(4-thiophen-3-ylphenyl)-N,N-bis[4-(4-thiophen-3-ylphenyl)phenyl]aniline;5-(8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene has a molecular weight of 4404.31 g/mol, XLogP of 89.15, 32 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-(9-phenylcarbazol-3-yl)acridine;5-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;2,6-diphenylfuro[2,3-f][1]benzofuran;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;4-thiophen-3-yl-N,N-bis(4-thiophen-3-ylphenyl)aniline;4-(4-thiophen-3-ylphenyl)-N,N-bis[4-(4-thiophen-3-ylphenyl)phenyl]aniline;5-(8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene is sourced from PubChem (CID 158071674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).