17-dibenzofuran-2-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzofuran-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzothiophen-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-(9,9-dimethylfluoren-3-yl)-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(8-naphthalen-2-yldibenzofuran-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(6-naphthalen-1-yldibenzofuran-4-yl)-17-pyridin-3-yl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C300H185N13O4S — CID 159679609

IUPAC17-dibenzofuran-2-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzofuran-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzothiophen-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-(9,9-dimethylfluoren-3-yl)-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(8-naphthalen-2-yldibenzofuran-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(6-naphthalen-1-yldibenzofuran-4-yl)-17-pyridin-3-yl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccncc4c4cc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)c5ccccc5c43)ccc21.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cc5c6cnccc6n(-c6ccc7oc8ccccc8c7c6)c5c5ccccc45)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cc5c6cnccc6n(-c6cccc7c6oc6ccccc67)c5c5ccccc45)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cc5c6cnccc6n(-c6cccc7c6sc6ccccc67)c5c5ccccc45)ccc23)cc1.c1ccc(-n2c3ccncc3c3cc(-c4ccc5oc6ccc(-c7ccc8ccccc8c7)cc6c5c4)c4ccccc4c32)cc1.c1cncc(-n2c3ccncc3c3cc(-c4cccc5c4oc4c(-c6cccc7ccccc67)cccc45)c4ccccc4c32)c1
InChIInChI=1S/C56H38N2.2C53H32N2O.C53H32N2S.C43H26N2O.C42H25N3O/c1-56(2)50-24-14-13-20-40(50)46-32-38(26-28-51(46)56)58-52-29-30-57-34-49(52)48-33-45(39-19-9-12-23-44(39)55(48)58)37-25-27-43-47(31-37)54(36-17-7-4-8-18-36)42-22-11-10-21-41(42)53(43)35-15-5-3-6-16-35;1-3-14-33(15-4-1)50-38-20-8-9-21-39(38)51(34-16-5-2-6-17-34)44-30-35(26-27-40(44)50)43-31-45-46-32-54-29-28-47(46)55(52(45)41-22-10-7-18-36(41)43)48-24-13-23-42-37-19-11-12-25-49(37)56-53(42)48;1-3-13-33(14-4-1)51-39-19-8-9-20-40(39)52(34-15-5-2-6-16-34)45-29-35(23-25-41(45)51)43-31-46-47-32-54-28-27-48(47)55(53(46)42-21-10-7-17-37(42)43)36-24-26-50-44(30-36)38-18-11-12-22-49(38)56-50;1-3-14-33(15-4-1)50-38-20-8-9-21-39(38)51(34-16-5-2-6-17-34)44-30-35(26-27-40(44)50)43-31-45-46-32-54-29-28-47(46)55(52(45)41-22-10-7-18-36(41)43)48-24-13-23-42-37-19-11-12-25-49(37)56-53(42)48;1-2-10-32(11-3-1)45-40-20-21-44-26-39(40)38-25-35(33-12-6-7-13-34(33)43(38)45)31-17-19-42-37(24-31)36-23-30(16-18-41(36)46-42)29-15-14-27-8-4-5-9-28(27)22-29;1-2-12-28-26(9-1)10-5-15-29(28)32-16-6-17-33-34-18-7-19-35(42(34)46-41(32)33)36-23-37-38-25-44-22-20-39(38)45(27-11-8-21-43-24-27)40(37)31-14-4-3-13-30(31)36/h3-34H,1-2H3;3*1-32H;1-26H;1-25H
InChIKeyMVAXORHTVOUCFA-UHFFFAOYSA-N
MW4067.93 g/mol
LogP81.86
Rot. Bonds22

About 17-dibenzofuran-2-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzofuran-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzothiophen-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-(9,9-dimethylfluoren-3-yl)-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(8-naphthalen-2-yldibenzofuran-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(6-naphthalen-1-yldibenzofuran-4-yl)-17-pyridin-3-yl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

17-dibenzofuran-2-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzofuran-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzothiophen-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-(9,9-dimethylfluoren-3-yl)-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(8-naphthalen-2-yldibenzofuran-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(6-naphthalen-1-yldibenzofuran-4-yl)-17-pyridin-3-yl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 159679609) has the molecular formula C300H185N13O4S and a molecular weight of 4067.93 g/mol. Its IUPAC name is 17-dibenzofuran-2-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzofuran-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzothiophen-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-(9,9-dimethylfluoren-3-yl)-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(8-naphthalen-2-yldibenzofuran-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(6-naphthalen-1-yldibenzofuran-4-yl)-17-pyridin-3-yl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

Compound Name17-dibenzofuran-2-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzofuran-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzothiophen-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-(9,9-dimethylfluoren-3-yl)-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(8-naphthalen-2-yldibenzofuran-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(6-naphthalen-1-yldibenzofuran-4-yl)-17-pyridin-3-yl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
PubChem CID159679609
Molecular FormulaC300H185N13O4S
Molecular Weight4067.93 g/mol
Exact Mass4064.44
IUPAC Name17-dibenzofuran-2-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzofuran-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzothiophen-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-(9,9-dimethylfluoren-3-yl)-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(8-naphthalen-2-yldibenzofuran-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(6-naphthalen-1-yldibenzofuran-4-yl)-17-pyridin-3-yl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccncc4c4cc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)c5ccccc5c43)ccc21.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cc5c6cnccc6n(-c6ccc7oc8ccccc8c7c6)c5c5ccccc45)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cc5c6cnccc6n(-c6cccc7c6oc6ccccc67)c5c5ccccc45)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cc5c6cnccc6n(-c6cccc7c6sc6ccccc67)c5c5ccccc45)ccc23)cc1.c1ccc(-n2c3ccncc3c3cc(-c4ccc5oc6ccc(-c7ccc8ccccc8c7)cc6c5c4)c4ccccc4c32)cc1.c1cncc(-n2c3ccncc3c3cc(-c4cccc5c4oc4c(-c6cccc7ccccc67)cccc45)c4ccccc4c32)c1
InChIInChI=1S/C56H38N2.2C53H32N2O.C53H32N2S.C43H26N2O.C42H25N3O/c1-56(2)50-24-14-13-20-40(50)46-32-38(26-28-51(46)56)58-52-29-30-57-34-49(52)48-33-45(39-19-9-12-23-44(39)55(48)58)37-25-27-43-47(31-37)54(36-17-7-4-8-18-36)42-22-11-10-21-41(42)53(43)35-15-5-3-6-16-35;1-3-14-33(15-4-1)50-38-20-8-9-21-39(38)51(34-16-5-2-6-17-34)44-30-35(26-27-40(44)50)43-31-45-46-32-54-29-28-47(46)55(52(45)41-22-10-7-18-36(41)43)48-24-13-23-42-37-19-11-12-25-49(37)56-53(42)48;1-3-13-33(14-4-1)51-39-19-8-9-20-40(39)52(34-15-5-2-6-16-34)45-29-35(23-25-41(45)51)43-31-46-47-32-54-28-27-48(47)55(53(46)42-21-10-7-17-37(42)43)36-24-26-50-44(30-36)38-18-11-12-22-49(38)56-50;1-3-14-33(15-4-1)50-38-20-8-9-21-39(38)51(34-16-5-2-6-17-34)44-30-35(26-27-40(44)50)43-31-45-46-32-54-29-28-47(46)55(52(45)41-22-10-7-18-36(41)43)48-24-13-23-42-37-19-11-12-25-49(37)56-53(42)48;1-2-10-32(11-3-1)45-40-20-21-44-26-39(40)38-25-35(33-12-6-7-13-34(33)43(38)45)31-17-19-42-37(24-31)36-23-30(16-18-41(36)46-42)29-15-14-27-8-4-5-9-28(27)22-29;1-2-12-28-26(9-1)10-5-15-29(28)32-16-6-17-33-34-18-7-19-35(42(34)46-41(32)33)36-23-37-38-25-44-22-20-39(38)45(27-11-8-21-43-24-27)40(37)31-14-4-3-13-30(31)36/h3-34H,1-2H3;3*1-32H;1-26H;1-25H
InChIKeyMVAXORHTVOUCFA-UHFFFAOYSA-N
XLogP81.86
TPSA172.37 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms318
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004067.93
LogP ≤ 581.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 17-dibenzofuran-2-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzofuran-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzothiophen-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-(9,9-dimethylfluoren-3-yl)-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(8-naphthalen-2-yldibenzofuran-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(6-naphthalen-1-yldibenzofuran-4-yl)-17-pyridin-3-yl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-dibenzofuran-2-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzofuran-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzothiophen-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-(9,9-dimethylfluoren-3-yl)-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(8-naphthalen-2-yldibenzofuran-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(6-naphthalen-1-yldibenzofuran-4-yl)-17-pyridin-3-yl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The IUPAC name of 17-dibenzofuran-2-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzofuran-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzothiophen-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-(9,9-dimethylfluoren-3-yl)-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(8-naphthalen-2-yldibenzofuran-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(6-naphthalen-1-yldibenzofuran-4-yl)-17-pyridin-3-yl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 159679609) is 17-dibenzofuran-2-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzofuran-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzothiophen-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-(9,9-dimethylfluoren-3-yl)-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(8-naphthalen-2-yldibenzofuran-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(6-naphthalen-1-yldibenzofuran-4-yl)-17-pyridin-3-yl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.
What is the SMILES notation for 17-dibenzofuran-2-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzofuran-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzothiophen-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-(9,9-dimethylfluoren-3-yl)-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(8-naphthalen-2-yldibenzofuran-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(6-naphthalen-1-yldibenzofuran-4-yl)-17-pyridin-3-yl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The canonical SMILES for 17-dibenzofuran-2-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzofuran-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzothiophen-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-(9,9-dimethylfluoren-3-yl)-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(8-naphthalen-2-yldibenzofuran-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(6-naphthalen-1-yldibenzofuran-4-yl)-17-pyridin-3-yl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is CC1(C)c2ccccc2-c2cc(-n3c4ccncc4c4cc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)c5ccccc5c43)ccc21.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cc5c6cnccc6n(-c6ccc7oc8ccccc8c7c6)c5c5ccccc45)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cc5c6cnccc6n(-c6cccc7c6oc6ccccc67)c5c5ccccc45)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cc5c6cnccc6n(-c6cccc7c6sc6ccccc67)c5c5ccccc45)ccc23)cc1.c1ccc(-n2c3ccncc3c3cc(-c4ccc5oc6ccc(-c7ccc8ccccc8c7)cc6c5c4)c4ccccc4c32)cc1.c1cncc(-n2c3ccncc3c3cc(-c4cccc5c4oc4c(-c6cccc7ccccc67)cccc45)c4ccccc4c32)c1.
What is the InChIKey of 17-dibenzofuran-2-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzofuran-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzothiophen-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-(9,9-dimethylfluoren-3-yl)-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(8-naphthalen-2-yldibenzofuran-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(6-naphthalen-1-yldibenzofuran-4-yl)-17-pyridin-3-yl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The InChIKey is MVAXORHTVOUCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2.2C53H32N2O.C53H32N2S.C43H26N2O.C42H25N3O/c1-56(2)50-24-14-13-20-40(50)46-32-38(26-28-51(46)56)58-52-29-30-57-34-49(52)48-33-45(39-19-9-12-23-44(39)55(48)58)37-25-27-43-47(31-37)54(36-17-7-4-8-18-36)42-22-11-10-21-41(42)53(43)35-15-5-3-6-16-35;1-3-14-33(15-4-1)50-38-20-8-9-21-39(38)51(34-16-5-2-6-17-34)44-30-35(26-27-40(44)50)43-31-45-46-32-54-29-28-47(46)55(52(45)41-22-10-7-18-36(41)43)48-24-13-23-42-37-19-11-12-25-49(37)56-53(42)48;1-3-13-33(14-4-1)51-39-19-8-9-20-40(39)52(34-15-5-2-6-16-34)45-29-35(23-25-41(45)51)43-31-46-47-32-54-28-27-48(47)55(53(46)42-21-10-7-17-37(42)43)36-24-26-50-44(30-36)38-18-11-12-22-49(38)56-50;1-3-14-33(15-4-1)50-38-20-8-9-21-39(38)51(34-16-5-2-6-17-34)44-30-35(26-27-40(44)50)43-31-45-46-32-54-29-28-47(46)55(52(45)41-22-10-7-18-36(41)43)48-24-13-23-42-37-19-11-12-25-49(37)56-53(42)48;1-2-10-32(11-3-1)45-40-20-21-44-26-39(40)38-25-35(33-12-6-7-13-34(33)43(38)45)31-17-19-42-37(24-31)36-23-30(16-18-41(36)46-42)29-15-14-27-8-4-5-9-28(27)22-29;1-2-12-28-26(9-1)10-5-15-29(28)32-16-6-17-33-34-18-7-19-35(42(34)46-41(32)33)36-23-37-38-25-44-22-20-39(38)45(27-11-8-21-43-24-27)40(37)31-14-4-3-13-30(31)36/h3-34H,1-2H3;3*1-32H;1-26H;1-25H.
What are the key properties of 17-dibenzofuran-2-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzofuran-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzothiophen-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-(9,9-dimethylfluoren-3-yl)-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(8-naphthalen-2-yldibenzofuran-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(6-naphthalen-1-yldibenzofuran-4-yl)-17-pyridin-3-yl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
17-dibenzofuran-2-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzofuran-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzothiophen-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-(9,9-dimethylfluoren-3-yl)-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(8-naphthalen-2-yldibenzofuran-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(6-naphthalen-1-yldibenzofuran-4-yl)-17-pyridin-3-yl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene has a molecular weight of 4067.93 g/mol, XLogP of 81.86, 22 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 17-dibenzofuran-2-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzofuran-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-dibenzothiophen-4-yl-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;17-(9,9-dimethylfluoren-3-yl)-8-(9,10-diphenylanthracen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(8-naphthalen-2-yldibenzofuran-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;8-(6-naphthalen-1-yldibenzofuran-4-yl)-17-pyridin-3-yl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is sourced from PubChem (CID 159679609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).