4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;10-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;4-(3-dibenzofuran-4-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-3-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;11-phenyl-12-[3-(3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)phenyl]indolo[2,3-a]carbazole;4-(3-triphenylen-2-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-triphenylen-2-yl-3,5,18-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene

C264H152N38O2 — CID 157064788

IUPAC4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;10-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;4-(3-dibenzofuran-4-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-3-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;11-phenyl-12-[3-(3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)phenyl]indolo[2,3-a]carbazole;4-(3-triphenylen-2-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-triphenylen-2-yl-3,5,18-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
SMILESc1cc(-c2ccc3c(c2)c2cncnc2c2ncncc32)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ncc3c4ccccc4c4cncnc4c3n2)c1.c1cc(-c2ncc3c4ccccc4c4cncnc4c3n2)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2ncc3c4ccccc4c4cncnc4c3n2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-c6ncc7c8ccccc8c8cncnc8c7n6)c5)c4c32)cc1.c1ccc2c(c1)c1ccccc1c1cc(-c3ncc4c5ccccc5c5cccnc5c4n3)ccc21.c1ccc2c(c1)nc1n(-c3ncc4c5ccccc5c5cncnc5c4n3)c3ccccc3n21.c1ccc2c(c1)oc1cc(-c3ncc4c5ccccc5c5cncnc5c4n3)ccc12
InChIInChI=1S/C44H26N6.C38H22N4.C33H19N3.2C32H19N5.C32H18N4O.C27H15N7.C26H14N4O/c1-2-12-28(13-3-1)49-38-19-8-6-17-32(38)34-21-22-35-33-18-7-9-20-39(33)50(43(35)42(34)49)29-14-10-11-27(23-29)44-46-25-37-31-16-5-4-15-30(31)36-24-45-26-47-40(36)41(37)48-44;1-2-12-28-26(10-1)27-11-3-4-13-29(27)33-19-24(16-17-32(28)33)23-8-7-9-25(18-23)38-40-21-35-31-15-6-5-14-30(31)34-20-39-22-41-36(34)37(35)42-38;1-2-10-23-21(8-1)22-9-3-5-12-25(22)29-18-20(15-16-27(23)29)33-35-19-30-26-13-6-4-11-24(26)28-14-7-17-34-31(28)32(30)36-33;1-3-10-29-24(8-1)25-9-2-4-11-30(25)37(29)22-7-5-6-20(14-22)21-12-13-23-26(15-21)28-17-34-19-36-32(28)31-27(23)16-33-18-35-31;1-2-11-23-22(10-1)26-17-33-19-35-30(26)31-27(23)18-34-32(36-31)20-8-7-9-21(16-20)37-28-14-5-3-12-24(28)25-13-4-6-15-29(25)37;1-2-10-23-22(9-1)26-16-33-18-35-29(26)30-27(23)17-34-32(36-30)20-8-5-7-19(15-20)21-12-6-13-25-24-11-3-4-14-28(24)37-31(21)25;1-2-8-17-16(7-1)18-13-28-15-30-24(18)25-19(17)14-29-26(32-25)34-23-12-6-5-11-22(23)33-21-10-4-3-9-20(21)31-27(33)34;1-2-6-17-16(5-1)20-12-27-14-29-24(20)25-21(17)13-28-26(30-25)15-9-10-19-18-7-3-4-8-22(18)31-23(19)11-15/h1-26H;1-22H;1-19H;2*1-19H;1-18H;1-15H;1-14H
InChIKeyABTDMFSMAGPTRU-UHFFFAOYSA-N
MW3888.38 g/mol
LogP63.27
Rot. Bonds14

About 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;10-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;4-(3-dibenzofuran-4-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-3-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;11-phenyl-12-[3-(3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)phenyl]indolo[2,3-a]carbazole;4-(3-triphenylen-2-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-triphenylen-2-yl-3,5,18-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene

4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;10-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;4-(3-dibenzofuran-4-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-3-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;11-phenyl-12-[3-(3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)phenyl]indolo[2,3-a]carbazole;4-(3-triphenylen-2-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-triphenylen-2-yl-3,5,18-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene (PubChem CID 157064788) has the molecular formula C264H152N38O2 and a molecular weight of 3888.38 g/mol. Its IUPAC name is 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;10-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;4-(3-dibenzofuran-4-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-3-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;11-phenyl-12-[3-(3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)phenyl]indolo[2,3-a]carbazole;4-(3-triphenylen-2-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-triphenylen-2-yl-3,5,18-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene.

Molecular Properties

Compound Name4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;10-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;4-(3-dibenzofuran-4-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-3-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;11-phenyl-12-[3-(3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)phenyl]indolo[2,3-a]carbazole;4-(3-triphenylen-2-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-triphenylen-2-yl-3,5,18-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
PubChem CID157064788
Molecular FormulaC264H152N38O2
Molecular Weight3888.38 g/mol
Exact Mass3885.30
IUPAC Name4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;10-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;4-(3-dibenzofuran-4-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-3-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;11-phenyl-12-[3-(3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)phenyl]indolo[2,3-a]carbazole;4-(3-triphenylen-2-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-triphenylen-2-yl-3,5,18-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
SMILESc1cc(-c2ccc3c(c2)c2cncnc2c2ncncc32)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ncc3c4ccccc4c4cncnc4c3n2)c1.c1cc(-c2ncc3c4ccccc4c4cncnc4c3n2)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2ncc3c4ccccc4c4cncnc4c3n2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-c6ncc7c8ccccc8c8cncnc8c7n6)c5)c4c32)cc1.c1ccc2c(c1)c1ccccc1c1cc(-c3ncc4c5ccccc5c5cccnc5c4n3)ccc21.c1ccc2c(c1)nc1n(-c3ncc4c5ccccc5c5cncnc5c4n3)c3ccccc3n21.c1ccc2c(c1)oc1cc(-c3ncc4c5ccccc5c5cncnc5c4n3)ccc12
InChIInChI=1S/C44H26N6.C38H22N4.C33H19N3.2C32H19N5.C32H18N4O.C27H15N7.C26H14N4O/c1-2-12-28(13-3-1)49-38-19-8-6-17-32(38)34-21-22-35-33-18-7-9-20-39(33)50(43(35)42(34)49)29-14-10-11-27(23-29)44-46-25-37-31-16-5-4-15-30(31)36-24-45-26-47-40(36)41(37)48-44;1-2-12-28-26(10-1)27-11-3-4-13-29(27)33-19-24(16-17-32(28)33)23-8-7-9-25(18-23)38-40-21-35-31-15-6-5-14-30(31)34-20-39-22-41-36(34)37(35)42-38;1-2-10-23-21(8-1)22-9-3-5-12-25(22)29-18-20(15-16-27(23)29)33-35-19-30-26-13-6-4-11-24(26)28-14-7-17-34-31(28)32(30)36-33;1-3-10-29-24(8-1)25-9-2-4-11-30(25)37(29)22-7-5-6-20(14-22)21-12-13-23-26(15-21)28-17-34-19-36-32(28)31-27(23)16-33-18-35-31;1-2-11-23-22(10-1)26-17-33-19-35-30(26)31-27(23)18-34-32(36-31)20-8-7-9-21(16-20)37-28-14-5-3-12-24(28)25-13-4-6-15-29(25)37;1-2-10-23-22(9-1)26-16-33-18-35-29(26)30-27(23)17-34-32(36-30)20-8-5-7-19(15-20)21-12-6-13-25-24-11-3-4-14-28(24)37-31(21)25;1-2-8-17-16(7-1)18-13-28-15-30-24(18)25-19(17)14-29-26(32-25)34-23-12-6-5-11-22(23)33-21-10-4-3-9-20(21)31-27(33)34;1-2-6-17-16(5-1)20-12-27-14-29-24(20)25-21(17)13-28-26(30-25)15-9-10-19-18-7-3-4-8-22(18)31-23(19)11-15/h1-26H;1-22H;1-19H;2*1-19H;1-18H;1-15H;1-14H
InChIKeyABTDMFSMAGPTRU-UHFFFAOYSA-N
XLogP63.27
TPSA467.82 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds14
Heavy Atoms304
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003888.38
LogP ≤ 563.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;10-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;4-(3-dibenzofuran-4-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-3-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;11-phenyl-12-[3-(3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)phenyl]indolo[2,3-a]carbazole;4-(3-triphenylen-2-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-triphenylen-2-yl-3,5,18-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;10-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;4-(3-dibenzofuran-4-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-3-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;11-phenyl-12-[3-(3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)phenyl]indolo[2,3-a]carbazole;4-(3-triphenylen-2-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-triphenylen-2-yl-3,5,18-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene?
The IUPAC name of 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;10-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;4-(3-dibenzofuran-4-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-3-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;11-phenyl-12-[3-(3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)phenyl]indolo[2,3-a]carbazole;4-(3-triphenylen-2-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-triphenylen-2-yl-3,5,18-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene (CID 157064788) is 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;10-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;4-(3-dibenzofuran-4-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-3-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;11-phenyl-12-[3-(3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)phenyl]indolo[2,3-a]carbazole;4-(3-triphenylen-2-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-triphenylen-2-yl-3,5,18-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene.
What is the SMILES notation for 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;10-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;4-(3-dibenzofuran-4-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-3-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;11-phenyl-12-[3-(3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)phenyl]indolo[2,3-a]carbazole;4-(3-triphenylen-2-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-triphenylen-2-yl-3,5,18-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene?
The canonical SMILES for 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;10-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;4-(3-dibenzofuran-4-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-3-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;11-phenyl-12-[3-(3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)phenyl]indolo[2,3-a]carbazole;4-(3-triphenylen-2-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-triphenylen-2-yl-3,5,18-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene is c1cc(-c2ccc3c(c2)c2cncnc2c2ncncc32)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ncc3c4ccccc4c4cncnc4c3n2)c1.c1cc(-c2ncc3c4ccccc4c4cncnc4c3n2)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2ncc3c4ccccc4c4cncnc4c3n2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-c6ncc7c8ccccc8c8cncnc8c7n6)c5)c4c32)cc1.c1ccc2c(c1)c1ccccc1c1cc(-c3ncc4c5ccccc5c5cccnc5c4n3)ccc21.c1ccc2c(c1)nc1n(-c3ncc4c5ccccc5c5cncnc5c4n3)c3ccccc3n21.c1ccc2c(c1)oc1cc(-c3ncc4c5ccccc5c5cncnc5c4n3)ccc12.
What is the InChIKey of 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;10-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;4-(3-dibenzofuran-4-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-3-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;11-phenyl-12-[3-(3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)phenyl]indolo[2,3-a]carbazole;4-(3-triphenylen-2-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-triphenylen-2-yl-3,5,18-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene?
The InChIKey is ABTDMFSMAGPTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N6.C38H22N4.C33H19N3.2C32H19N5.C32H18N4O.C27H15N7.C26H14N4O/c1-2-12-28(13-3-1)49-38-19-8-6-17-32(38)34-21-22-35-33-18-7-9-20-39(33)50(43(35)42(34)49)29-14-10-11-27(23-29)44-46-25-37-31-16-5-4-15-30(31)36-24-45-26-47-40(36)41(37)48-44;1-2-12-28-26(10-1)27-11-3-4-13-29(27)33-19-24(16-17-32(28)33)23-8-7-9-25(18-23)38-40-21-35-31-15-6-5-14-30(31)34-20-39-22-41-36(34)37(35)42-38;1-2-10-23-21(8-1)22-9-3-5-12-25(22)29-18-20(15-16-27(23)29)33-35-19-30-26-13-6-4-11-24(26)28-14-7-17-34-31(28)32(30)36-33;1-3-10-29-24(8-1)25-9-2-4-11-30(25)37(29)22-7-5-6-20(14-22)21-12-13-23-26(15-21)28-17-34-19-36-32(28)31-27(23)16-33-18-35-31;1-2-11-23-22(10-1)26-17-33-19-35-30(26)31-27(23)18-34-32(36-31)20-8-7-9-21(16-20)37-28-14-5-3-12-24(28)25-13-4-6-15-29(25)37;1-2-10-23-22(9-1)26-16-33-18-35-29(26)30-27(23)17-34-32(36-30)20-8-5-7-19(15-20)21-12-6-13-25-24-11-3-4-14-28(24)37-31(21)25;1-2-8-17-16(7-1)18-13-28-15-30-24(18)25-19(17)14-29-26(32-25)34-23-12-6-5-11-22(23)33-21-10-4-3-9-20(21)31-27(33)34;1-2-6-17-16(5-1)20-12-27-14-29-24(20)25-21(17)13-28-26(30-25)15-9-10-19-18-7-3-4-8-22(18)31-23(19)11-15/h1-26H;1-22H;1-19H;2*1-19H;1-18H;1-15H;1-14H.
What are the key properties of 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;10-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;4-(3-dibenzofuran-4-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-3-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;11-phenyl-12-[3-(3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)phenyl]indolo[2,3-a]carbazole;4-(3-triphenylen-2-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-triphenylen-2-yl-3,5,18-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene?
4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;10-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;4-(3-dibenzofuran-4-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-3-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;11-phenyl-12-[3-(3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)phenyl]indolo[2,3-a]carbazole;4-(3-triphenylen-2-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-triphenylen-2-yl-3,5,18-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene has a molecular weight of 3888.38 g/mol, XLogP of 63.27, 14 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;10-(3-carbazol-9-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaene;4-(3-dibenzofuran-4-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-3-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;11-phenyl-12-[3-(3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)phenyl]indolo[2,3-a]carbazole;4-(3-triphenylen-2-ylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-triphenylen-2-yl-3,5,18-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene is sourced from PubChem (CID 157064788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).