3-[3-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]-3,4,10,11,12-pentazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene;5-[8-(3,5-diphenylphenyl)dibenzofuran-2-yl]-1,6,11,12,13-pentazatricyclo[8.3.0.02,6]trideca-2,4,10,12-tetraene;5-(4-phenylphenyl)-17-thia-5,12-diazatricyclo[12.2.1.02,6]heptadeca-1(16),2(6),3,14-tetraen-13-one;3-phenyl-4-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3-benzoxazole;3-[6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)dibenzofuran-2-yl]-1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;4-[8-(4,5,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraen-5-yl)dibenzofuran-4-yl]-3,4,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2,5,11-tetraene

C208H166N36O6S — CID 159978965

IUPAC3-[3-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]-3,4,10,11,12-pentazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene;5-[8-(3,5-diphenylphenyl)dibenzofuran-2-yl]-1,6,11,12,13-pentazatricyclo[8.3.0.02,6]trideca-2,4,10,12-tetraene;5-(4-phenylphenyl)-17-thia-5,12-diazatricyclo[12.2.1.02,6]heptadeca-1(16),2(6),3,14-tetraen-13-one;3-phenyl-4-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3-benzoxazole;3-[6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)dibenzofuran-2-yl]-1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;4-[8-(4,5,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraen-5-yl)dibenzofuran-4-yl]-3,4,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2,5,11-tetraene
SMILESO=C1NCCCCCc2c(ccn2-c2ccc(-c3ccccc3)cc2)-c2ccc1s2.c1cc(-c2ccc3oc4c(-n5c6ccccc6c6ccccc65)cccc4c3c2)cc(-n2ncc3c2-c2cnnn2CCC3)c1.c1cc(-n2cc3c(n2)-c2cccn2CCC3)c2oc3ccc(-n4ncc5c4CCCn4cccc4-5)cc3c2c1.c1cc(-n2ccc3c2-n2nccc2CCC3)c2oc3ccc(-n4ccc5c4-n4nccc4CCC5)cc3c2c1.c1cc2n(n1)-c1c(ccn1-c1ccc3ncoc3c1)CCC2.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4oc5ccc(-c6ccc7n6CCCc6nnnn6-7)cc5c4c3)c2)cc1.c1ccc(-n2c(-n3ccc4c3-n3nccc3CCC4)cc3c2-n2cnnc2CCC3)cc1
InChIInChI=1S/C38H26N6O.C38H27N5O.2C32H26N6O.C26H24N2OS.C25H23N7.C17H14N4O/c1-3-14-32-28(11-1)29-12-2-4-15-33(29)43(32)34-16-6-13-30-31-21-25(17-18-36(31)45-38(30)34)24-8-5-10-27(20-24)44-37-26(22-40-44)9-7-19-42-35(37)23-39-41-42;1-3-8-25(9-4-1)29-20-30(26-10-5-2-6-11-26)22-31(21-29)27-13-16-35-32(23-27)33-24-28(14-17-36(33)44-35)34-15-18-38-42(34)19-7-12-37-39-40-41-43(37)38;1-7-23-24-18-22(38-27-10-4-16-35-15-3-9-26(35)25(27)19-33-38)12-13-30(24)39-32(23)29(8-1)37-20-21-6-2-14-36-17-5-11-28(36)31(21)34-37;1-4-21-14-18-35(31(21)37-23(6-1)12-16-33-37)25-10-11-29-27(20-25)26-8-3-9-28(30(26)39-29)36-19-15-22-5-2-7-24-13-17-34-38(24)32(22)36;29-26-25-15-14-24(30-25)22-16-18-28(23(22)9-5-2-6-17-27-26)21-12-10-20(11-13-21)19-7-3-1-4-8-19;1-2-8-20(9-3-1)31-23(16-19-7-5-11-22-28-26-17-30(22)24(19)31)29-15-13-18-6-4-10-21-12-14-27-32(21)25(18)29;1-2-12-7-9-20(17(12)21-13(3-1)6-8-19-21)14-4-5-15-16(10-14)22-11-18-15/h1-6,8,10-18,20-23H,7,9,19H2;1-6,8-11,13-18,20-24H,7,12,19H2;1,3,5,7-9,11-13,15,17-20H,2,4,6,10,14,16H2;3,8-20H,1-2,4-7H2;1,3-4,7-8,10-16,18H,2,5-6,9,17H2,(H,27,29);1-3,8-9,12-17H,4-7,10-11H2;4-11H,1-3H2
InChIKeyOFNBSKSVFWFVRP-UHFFFAOYSA-N
MW3297.93 g/mol
LogP44.65
Rot. Bonds16

About 3-[3-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]-3,4,10,11,12-pentazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene;5-[8-(3,5-diphenylphenyl)dibenzofuran-2-yl]-1,6,11,12,13-pentazatricyclo[8.3.0.02,6]trideca-2,4,10,12-tetraene;5-(4-phenylphenyl)-17-thia-5,12-diazatricyclo[12.2.1.02,6]heptadeca-1(16),2(6),3,14-tetraen-13-one;3-phenyl-4-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3-benzoxazole;3-[6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)dibenzofuran-2-yl]-1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;4-[8-(4,5,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraen-5-yl)dibenzofuran-4-yl]-3,4,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2,5,11-tetraene

3-[3-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]-3,4,10,11,12-pentazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene;5-[8-(3,5-diphenylphenyl)dibenzofuran-2-yl]-1,6,11,12,13-pentazatricyclo[8.3.0.02,6]trideca-2,4,10,12-tetraene;5-(4-phenylphenyl)-17-thia-5,12-diazatricyclo[12.2.1.02,6]heptadeca-1(16),2(6),3,14-tetraen-13-one;3-phenyl-4-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3-benzoxazole;3-[6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)dibenzofuran-2-yl]-1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;4-[8-(4,5,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraen-5-yl)dibenzofuran-4-yl]-3,4,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2,5,11-tetraene (PubChem CID 159978965) has the molecular formula C208H166N36O6S and a molecular weight of 3297.93 g/mol. Its IUPAC name is 3-[3-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]-3,4,10,11,12-pentazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene;5-[8-(3,5-diphenylphenyl)dibenzofuran-2-yl]-1,6,11,12,13-pentazatricyclo[8.3.0.02,6]trideca-2,4,10,12-tetraene;5-(4-phenylphenyl)-17-thia-5,12-diazatricyclo[12.2.1.02,6]heptadeca-1(16),2(6),3,14-tetraen-13-one;3-phenyl-4-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3-benzoxazole;3-[6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)dibenzofuran-2-yl]-1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;4-[8-(4,5,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraen-5-yl)dibenzofuran-4-yl]-3,4,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2,5,11-tetraene.

Molecular Properties

Compound Name3-[3-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]-3,4,10,11,12-pentazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene;5-[8-(3,5-diphenylphenyl)dibenzofuran-2-yl]-1,6,11,12,13-pentazatricyclo[8.3.0.02,6]trideca-2,4,10,12-tetraene;5-(4-phenylphenyl)-17-thia-5,12-diazatricyclo[12.2.1.02,6]heptadeca-1(16),2(6),3,14-tetraen-13-one;3-phenyl-4-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3-benzoxazole;3-[6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)dibenzofuran-2-yl]-1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;4-[8-(4,5,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraen-5-yl)dibenzofuran-4-yl]-3,4,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2,5,11-tetraene
PubChem CID159978965
Molecular FormulaC208H166N36O6S
Molecular Weight3297.93 g/mol
Exact Mass3295.35
IUPAC Name3-[3-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]-3,4,10,11,12-pentazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene;5-[8-(3,5-diphenylphenyl)dibenzofuran-2-yl]-1,6,11,12,13-pentazatricyclo[8.3.0.02,6]trideca-2,4,10,12-tetraene;5-(4-phenylphenyl)-17-thia-5,12-diazatricyclo[12.2.1.02,6]heptadeca-1(16),2(6),3,14-tetraen-13-one;3-phenyl-4-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3-benzoxazole;3-[6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)dibenzofuran-2-yl]-1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;4-[8-(4,5,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraen-5-yl)dibenzofuran-4-yl]-3,4,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2,5,11-tetraene
SMILESO=C1NCCCCCc2c(ccn2-c2ccc(-c3ccccc3)cc2)-c2ccc1s2.c1cc(-c2ccc3oc4c(-n5c6ccccc6c6ccccc65)cccc4c3c2)cc(-n2ncc3c2-c2cnnn2CCC3)c1.c1cc(-n2cc3c(n2)-c2cccn2CCC3)c2oc3ccc(-n4ncc5c4CCCn4cccc4-5)cc3c2c1.c1cc(-n2ccc3c2-n2nccc2CCC3)c2oc3ccc(-n4ccc5c4-n4nccc4CCC5)cc3c2c1.c1cc2n(n1)-c1c(ccn1-c1ccc3ncoc3c1)CCC2.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4oc5ccc(-c6ccc7n6CCCc6nnnn6-7)cc5c4c3)c2)cc1.c1ccc(-n2c(-n3ccc4c3-n3nccc3CCC4)cc3c2-n2cnnc2CCC3)cc1
InChIInChI=1S/C38H26N6O.C38H27N5O.2C32H26N6O.C26H24N2OS.C25H23N7.C17H14N4O/c1-3-14-32-28(11-1)29-12-2-4-15-33(29)43(32)34-16-6-13-30-31-21-25(17-18-36(31)45-38(30)34)24-8-5-10-27(20-24)44-37-26(22-40-44)9-7-19-42-35(37)23-39-41-42;1-3-8-25(9-4-1)29-20-30(26-10-5-2-6-11-26)22-31(21-29)27-13-16-35-32(23-27)33-24-28(14-17-36(33)44-35)34-15-18-38-42(34)19-7-12-37-39-40-41-43(37)38;1-7-23-24-18-22(38-27-10-4-16-35-15-3-9-26(35)25(27)19-33-38)12-13-30(24)39-32(23)29(8-1)37-20-21-6-2-14-36-17-5-11-28(36)31(21)34-37;1-4-21-14-18-35(31(21)37-23(6-1)12-16-33-37)25-10-11-29-27(20-25)26-8-3-9-28(30(26)39-29)36-19-15-22-5-2-7-24-13-17-34-38(24)32(22)36;29-26-25-15-14-24(30-25)22-16-18-28(23(22)9-5-2-6-17-27-26)21-12-10-20(11-13-21)19-7-3-1-4-8-19;1-2-8-20(9-3-1)31-23(16-19-7-5-11-22-28-26-17-30(22)24(19)31)29-15-13-18-6-4-10-21-12-14-27-32(21)25(18)29;1-2-12-7-9-20(17(12)21-13(3-1)6-8-19-21)14-4-5-15-16(10-14)22-11-18-15/h1-6,8,10-18,20-23H,7,9,19H2;1-6,8-11,13-18,20-24H,7,12,19H2;1,3,5,7-9,11-13,15,17-20H,2,4,6,10,14,16H2;3,8-20H,1-2,4-7H2;1,3-4,7-8,10-16,18H,2,5-6,9,17H2,(H,27,29);1-3,8-9,12-17H,4-7,10-11H2;4-11H,1-3H2
InChIKeyOFNBSKSVFWFVRP-UHFFFAOYSA-N
XLogP44.65
TPSA386.75 Ų
H-Bond Donors1
H-Bond Acceptors42
Rotatable Bonds16
Heavy Atoms251
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003297.93
LogP ≤ 544.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1042

Analyze 3-[3-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]-3,4,10,11,12-pentazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene;5-[8-(3,5-diphenylphenyl)dibenzofuran-2-yl]-1,6,11,12,13-pentazatricyclo[8.3.0.02,6]trideca-2,4,10,12-tetraene;5-(4-phenylphenyl)-17-thia-5,12-diazatricyclo[12.2.1.02,6]heptadeca-1(16),2(6),3,14-tetraen-13-one;3-phenyl-4-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3-benzoxazole;3-[6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)dibenzofuran-2-yl]-1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;4-[8-(4,5,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraen-5-yl)dibenzofuran-4-yl]-3,4,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2,5,11-tetraene with MolForge

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Related Compounds

2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole
CID 91005795
1-[3,5-Bis[3-(furan-2-yl)pyrazol-1-yl]phenyl]-5-(furan-2-yl)pyrazole;5-carbazol-9-yl-2-(5-carbazol-9-yl-1,3-oxazol-2-yl)-1,3-oxazole;diphenyl-(3-phenyl-5-triphenylsilylphenyl)-[3-(4-pyrazol-1-ylpyrazol-1-yl)phenyl]silane;2-[1-[3-[[3-[2-(1,3-oxazol-2-yl)pyrrol-1-yl]phenyl]-phenylphosphoryl]phenyl]pyrrol-2-yl]-1,3-oxazole;2-(3-phenylcarbazol-9-yl)-5-(2-phenylpyrrol-1-yl)-1,3,4-oxadiazole;4-phenyl-2-(1-tritylpyrrol-3-yl)-1,3-oxazole;9-[8-[3-(1,2,4-triazol-1-yl)pyrrol-1-yl]dibenzofuran-4-yl]carbazole;9-[3-[5-(1,2,4-triazol-4-yl)thiophen-2-yl]benzotriazol-5-yl]carbazole
CID 157205171
2-[6-(1,3-Benzothiazol-2-yl)-9-[5-(1-naphthalen-1-ylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)pyrimidin-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-9-dibenzofuran-1-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-dibenzofuran-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-dibenzofuran-3-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-dibenzofuran-4-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 157294027
CID 157882049
CID 157882049
(2R)-9-(1-benzothiophen-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-(1,4-dimethylindazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 158166061
2-[6-(1,3-Benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-dibenzofuran-1-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-dibenzofuran-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-dibenzofuran-3-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-dibenzofuran-4-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 158425142
12-(1,3-Benzothiazol-2-yl)-[1]benzofuro[3,2-a]carbazole;5-(1,3-benzothiazol-2-yl)-[1]benzofuro[3,2-c]carbazole;12-(1,3-benzoxazol-2-yl)-[1]benzofuro[3,2-a]carbazole;12-(1,3-benzoxazol-5-yl)-[1]benzofuro[3,2-a]carbazole;5-(1,3-benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;12-isoquinolin-6-yl-[1]benzofuro[3,2-a]carbazole;12-(1-phenylbenzimidazol-4-yl)-[1]benzofuro[3,2-a]carbazole;12-(1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole;5-(1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 158939610
CID 159205335
CID 159205335
CID 159543252
CID 159543252
2-[4-(3-Dibenzothiophen-2-ylphenyl)-1,2,4-triazol-3-yl]-5-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-1,2,4-triazol-3-yl]-1,3,4-oxadiazole;2-[2,4-diphenyl-1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]pyrrol-3-yl]-1,3-oxazole;1-[1-[8-(8-phenyldibenzofuran-2-yl)dibenzofuran-2-yl]pyrrol-2-yl]pyrazole;1-phenyl-2-[3-[1-[3-(3-phenylphenyl)phenyl]pyrazol-3-yl]pyrazol-1-yl]benzimidazole;1-[1-[6-(2-pyrazol-1-ylpyrrol-1-yl)dibenzofuran-2-yl]pyrrol-2-yl]pyrazole;5-pyrazol-1-yl-2-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3-thiazole;1-[1-[4-[4-[3-(triazol-1-yl)pyrazol-1-yl]phenyl]phenyl]pyrazol-3-yl]triazole
CID 159759640
5-[3-[6-[3-[3,6-Bis(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]phenyl]-8-(4-phenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indole;2-[8-[[8-[3,5-bis(4-pyridin-2-yl-1,2,4-triazol-3-yl)phenyl]dibenzofuran-2-yl]methyl]dibenzofuran-2-yl]pyridine;2-[3-[2-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazolidin-2-yl)phenyl]carbazol-3-yl]-6-[3-(1,3-oxazol-2-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole;2-[3-[1-methyl-8-[8-methyl-9-phenyl-6-[4-(1,3-thiazol-2-yl)-3-pyridinyl]carbazol-1-yl]-9-phenylcarbazol-3-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[8-[8-[2-(1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazine
CID 160398797
2-[2-(3,5-Diphenylphenyl)pyrazol-3-yl]-5-phenyl-1,3,4-oxadiazole;6-[5-(3,5-diphenyl-1,2,4-triazol-4-yl)thiophen-2-yl]-[1]benzofuro[2,3-b]indole;2-[2-[5-[1-(1,3-oxazol-2-yl)pyrrol-2-yl]-1,3,4-thiadiazol-2-yl]pyrrol-1-yl]-1,3-oxazole;2-phenyl-4,6-bis(2-pyrazol-1-ylpyrrol-1-yl)-1,3,5-triazine;4-[2-(1-phenylindol-4-yl)pyrazol-3-yl]-1,2-oxazole;1-phenyl-2-[5-[3-(5-pyrazol-1-ylfuran-2-yl)phenyl]furan-2-yl]imidazole;2-[1-phenyl-5-(3,6,13-triazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-13-yl)pyrrol-2-yl]-1,3-oxazole;6-(2-pyrazol-1-ylpyrrol-1-yl)-1,3-benzoxazole
CID 160490383

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]-3,4,10,11,12-pentazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene;5-[8-(3,5-diphenylphenyl)dibenzofuran-2-yl]-1,6,11,12,13-pentazatricyclo[8.3.0.02,6]trideca-2,4,10,12-tetraene;5-(4-phenylphenyl)-17-thia-5,12-diazatricyclo[12.2.1.02,6]heptadeca-1(16),2(6),3,14-tetraen-13-one;3-phenyl-4-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3-benzoxazole;3-[6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)dibenzofuran-2-yl]-1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;4-[8-(4,5,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraen-5-yl)dibenzofuran-4-yl]-3,4,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2,5,11-tetraene?
The IUPAC name of 3-[3-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]-3,4,10,11,12-pentazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene;5-[8-(3,5-diphenylphenyl)dibenzofuran-2-yl]-1,6,11,12,13-pentazatricyclo[8.3.0.02,6]trideca-2,4,10,12-tetraene;5-(4-phenylphenyl)-17-thia-5,12-diazatricyclo[12.2.1.02,6]heptadeca-1(16),2(6),3,14-tetraen-13-one;3-phenyl-4-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3-benzoxazole;3-[6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)dibenzofuran-2-yl]-1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;4-[8-(4,5,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraen-5-yl)dibenzofuran-4-yl]-3,4,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2,5,11-tetraene (CID 159978965) is 3-[3-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]-3,4,10,11,12-pentazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene;5-[8-(3,5-diphenylphenyl)dibenzofuran-2-yl]-1,6,11,12,13-pentazatricyclo[8.3.0.02,6]trideca-2,4,10,12-tetraene;5-(4-phenylphenyl)-17-thia-5,12-diazatricyclo[12.2.1.02,6]heptadeca-1(16),2(6),3,14-tetraen-13-one;3-phenyl-4-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3-benzoxazole;3-[6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)dibenzofuran-2-yl]-1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;4-[8-(4,5,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraen-5-yl)dibenzofuran-4-yl]-3,4,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2,5,11-tetraene.
What is the SMILES notation for 3-[3-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]-3,4,10,11,12-pentazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene;5-[8-(3,5-diphenylphenyl)dibenzofuran-2-yl]-1,6,11,12,13-pentazatricyclo[8.3.0.02,6]trideca-2,4,10,12-tetraene;5-(4-phenylphenyl)-17-thia-5,12-diazatricyclo[12.2.1.02,6]heptadeca-1(16),2(6),3,14-tetraen-13-one;3-phenyl-4-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3-benzoxazole;3-[6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)dibenzofuran-2-yl]-1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;4-[8-(4,5,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraen-5-yl)dibenzofuran-4-yl]-3,4,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2,5,11-tetraene?
The canonical SMILES for 3-[3-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]-3,4,10,11,12-pentazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene;5-[8-(3,5-diphenylphenyl)dibenzofuran-2-yl]-1,6,11,12,13-pentazatricyclo[8.3.0.02,6]trideca-2,4,10,12-tetraene;5-(4-phenylphenyl)-17-thia-5,12-diazatricyclo[12.2.1.02,6]heptadeca-1(16),2(6),3,14-tetraen-13-one;3-phenyl-4-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3-benzoxazole;3-[6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)dibenzofuran-2-yl]-1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;4-[8-(4,5,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraen-5-yl)dibenzofuran-4-yl]-3,4,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2,5,11-tetraene is O=C1NCCCCCc2c(ccn2-c2ccc(-c3ccccc3)cc2)-c2ccc1s2.c1cc(-c2ccc3oc4c(-n5c6ccccc6c6ccccc65)cccc4c3c2)cc(-n2ncc3c2-c2cnnn2CCC3)c1.c1cc(-n2cc3c(n2)-c2cccn2CCC3)c2oc3ccc(-n4ncc5c4CCCn4cccc4-5)cc3c2c1.c1cc(-n2ccc3c2-n2nccc2CCC3)c2oc3ccc(-n4ccc5c4-n4nccc4CCC5)cc3c2c1.c1cc2n(n1)-c1c(ccn1-c1ccc3ncoc3c1)CCC2.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4oc5ccc(-c6ccc7n6CCCc6nnnn6-7)cc5c4c3)c2)cc1.c1ccc(-n2c(-n3ccc4c3-n3nccc3CCC4)cc3c2-n2cnnc2CCC3)cc1.
What is the InChIKey of 3-[3-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]-3,4,10,11,12-pentazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene;5-[8-(3,5-diphenylphenyl)dibenzofuran-2-yl]-1,6,11,12,13-pentazatricyclo[8.3.0.02,6]trideca-2,4,10,12-tetraene;5-(4-phenylphenyl)-17-thia-5,12-diazatricyclo[12.2.1.02,6]heptadeca-1(16),2(6),3,14-tetraen-13-one;3-phenyl-4-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3-benzoxazole;3-[6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)dibenzofuran-2-yl]-1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;4-[8-(4,5,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraen-5-yl)dibenzofuran-4-yl]-3,4,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2,5,11-tetraene?
The InChIKey is OFNBSKSVFWFVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N6O.C38H27N5O.2C32H26N6O.C26H24N2OS.C25H23N7.C17H14N4O/c1-3-14-32-28(11-1)29-12-2-4-15-33(29)43(32)34-16-6-13-30-31-21-25(17-18-36(31)45-38(30)34)24-8-5-10-27(20-24)44-37-26(22-40-44)9-7-19-42-35(37)23-39-41-42;1-3-8-25(9-4-1)29-20-30(26-10-5-2-6-11-26)22-31(21-29)27-13-16-35-32(23-27)33-24-28(14-17-36(33)44-35)34-15-18-38-42(34)19-7-12-37-39-40-41-43(37)38;1-7-23-24-18-22(38-27-10-4-16-35-15-3-9-26(35)25(27)19-33-38)12-13-30(24)39-32(23)29(8-1)37-20-21-6-2-14-36-17-5-11-28(36)31(21)34-37;1-4-21-14-18-35(31(21)37-23(6-1)12-16-33-37)25-10-11-29-27(20-25)26-8-3-9-28(30(26)39-29)36-19-15-22-5-2-7-24-13-17-34-38(24)32(22)36;29-26-25-15-14-24(30-25)22-16-18-28(23(22)9-5-2-6-17-27-26)21-12-10-20(11-13-21)19-7-3-1-4-8-19;1-2-8-20(9-3-1)31-23(16-19-7-5-11-22-28-26-17-30(22)24(19)31)29-15-13-18-6-4-10-21-12-14-27-32(21)25(18)29;1-2-12-7-9-20(17(12)21-13(3-1)6-8-19-21)14-4-5-15-16(10-14)22-11-18-15/h1-6,8,10-18,20-23H,7,9,19H2;1-6,8-11,13-18,20-24H,7,12,19H2;1,3,5,7-9,11-13,15,17-20H,2,4,6,10,14,16H2;3,8-20H,1-2,4-7H2;1,3-4,7-8,10-16,18H,2,5-6,9,17H2,(H,27,29);1-3,8-9,12-17H,4-7,10-11H2;4-11H,1-3H2.
What are the key properties of 3-[3-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]-3,4,10,11,12-pentazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene;5-[8-(3,5-diphenylphenyl)dibenzofuran-2-yl]-1,6,11,12,13-pentazatricyclo[8.3.0.02,6]trideca-2,4,10,12-tetraene;5-(4-phenylphenyl)-17-thia-5,12-diazatricyclo[12.2.1.02,6]heptadeca-1(16),2(6),3,14-tetraen-13-one;3-phenyl-4-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3-benzoxazole;3-[6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)dibenzofuran-2-yl]-1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;4-[8-(4,5,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraen-5-yl)dibenzofuran-4-yl]-3,4,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2,5,11-tetraene?
3-[3-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]-3,4,10,11,12-pentazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene;5-[8-(3,5-diphenylphenyl)dibenzofuran-2-yl]-1,6,11,12,13-pentazatricyclo[8.3.0.02,6]trideca-2,4,10,12-tetraene;5-(4-phenylphenyl)-17-thia-5,12-diazatricyclo[12.2.1.02,6]heptadeca-1(16),2(6),3,14-tetraen-13-one;3-phenyl-4-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3-benzoxazole;3-[6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)dibenzofuran-2-yl]-1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;4-[8-(4,5,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraen-5-yl)dibenzofuran-4-yl]-3,4,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2,5,11-tetraene has a molecular weight of 3297.93 g/mol, XLogP of 44.65, 16 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-carbazol-9-yldibenzofuran-2-yl)phenyl]-3,4,10,11,12-pentazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene;5-[8-(3,5-diphenylphenyl)dibenzofuran-2-yl]-1,6,11,12,13-pentazatricyclo[8.3.0.02,6]trideca-2,4,10,12-tetraene;5-(4-phenylphenyl)-17-thia-5,12-diazatricyclo[12.2.1.02,6]heptadeca-1(16),2(6),3,14-tetraen-13-one;3-phenyl-4-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)-1,3-benzoxazole;3-[6-(1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-3-yl)dibenzofuran-2-yl]-1,3,13-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene;4-[8-(4,5,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraen-5-yl)dibenzofuran-4-yl]-3,4,10-triazatricyclo[8.3.0.02,6]trideca-1(13),2,5,11-tetraene is sourced from PubChem (CID 159978965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).