9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C134H81N9O — CID 157155646

IUPAC9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1cc(-c2cccc(-c3nc4ccccc4c4nc5ccccn5c34)c2)cc(-c2ccc3oc4ccccc4c3c2)c1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6c6nc7ccccn7c56)cc4)cc3)cc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4nc5ccccc5c5nc6ccccn6c45)cc3)cc21
InChIInChI=1S/C51H31N3.C45H27N3.C38H23N3O/c1-5-15-42-37(11-1)38-12-2-6-16-43(38)51(42)44-17-7-3-13-39(44)40-29-28-36(31-45(40)51)34-22-20-32(21-23-34)33-24-26-35(27-25-33)48-50-49(41-14-4-8-18-46(41)52-48)53-47-19-9-10-30-54(47)50;1-5-15-36-31(11-1)32-12-2-6-16-37(32)45(36)38-17-7-3-13-33(38)34-25-24-30(27-39(34)45)28-20-22-29(23-21-28)42-44-43(35-14-4-8-18-40(35)46-42)47-41-19-9-10-26-48(41)44;1-3-15-32-30(14-1)37-38(41-20-6-5-17-35(41)40-37)36(39-32)28-12-8-11-26(22-28)24-9-7-10-25(21-24)27-18-19-34-31(23-27)29-13-2-4-16-33(29)42-34/h1-31H;1-27H;1-23H
InChIKeyALTSQSNNTLKPDC-UHFFFAOYSA-N
MW1833.18 g/mol
LogP33.03
Rot. Bonds8

About 9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 157155646) has the molecular formula C134H81N9O and a molecular weight of 1833.18 g/mol. Its IUPAC name is 9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

Compound Name9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
PubChem CID157155646
Molecular FormulaC134H81N9O
Molecular Weight1833.18 g/mol
Exact Mass1831.66
IUPAC Name9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1cc(-c2cccc(-c3nc4ccccc4c4nc5ccccn5c34)c2)cc(-c2ccc3oc4ccccc4c3c2)c1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6c6nc7ccccn7c56)cc4)cc3)cc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4nc5ccccc5c5nc6ccccn6c45)cc3)cc21
InChIInChI=1S/C51H31N3.C45H27N3.C38H23N3O/c1-5-15-42-37(11-1)38-12-2-6-16-43(38)51(42)44-17-7-3-13-39(44)40-29-28-36(31-45(40)51)34-22-20-32(21-23-34)33-24-26-35(27-25-33)48-50-49(41-14-4-8-18-46(41)52-48)53-47-19-9-10-30-54(47)50;1-5-15-36-31(11-1)32-12-2-6-16-37(32)45(36)38-17-7-3-13-33(38)34-25-24-30(27-39(34)45)28-20-22-29(23-21-28)42-44-43(35-14-4-8-18-40(35)46-42)47-41-19-9-10-26-48(41)44;1-3-15-32-30(14-1)37-38(41-20-6-5-17-35(41)40-37)36(39-32)28-12-8-11-26(22-28)24-9-7-10-25(21-24)27-18-19-34-31(23-27)29-13-2-4-16-33(29)42-34/h1-31H;1-27H;1-23H
InChIKeyALTSQSNNTLKPDC-UHFFFAOYSA-N
XLogP33.03
TPSA103.71 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001833.18
LogP ≤ 533.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene with MolForge

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Related Compounds

(14E)-14-[1-benzofuran-4-yl(1-benzofuran-7-yl)methylidene]-5-fluoro-19-pyridin-4-yl-8,11,13,15,17,20-hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaene
CID 156233719
3-[8-[9-[4-(4-Dibenzofuran-4-ylphenyl)quinazolin-2-yl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-[4-(3-isocyanophenyl)quinazolin-2-yl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole;3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[3-(3-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole
CID 157399837
2-(6-Dibenzofuran-2-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[9,9-difluoro-6-(9,9'-spirobi[fluorene]-2-yl)fluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-9-phenylcarbazole
CID 157706407
2-(4-Tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(4-phenylphenyl)-5-[4-[1,1,1-trifluoro-2-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-2-yl]phenyl]-1,3,4-oxadiazole;2-pyridin-2-yl-6-[1,4,9-tris(6-pyridin-2-yl-2-pyridinyl)-5-silaspiro[4.4]nona-1,3,6,8-tetraen-6-yl]pyridine;2-[2',7,7'-tris(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline
CID 157803321
2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;6-fluoro-9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;octakis(iridium);2-(8-methyl-3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine
CID 159232514
2-(7-Dibenzofuran-2-yl-9,9-difluorofluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[9,9-difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;4-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-2-yl]-2,6-diphenylpyrimidine;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenanthridine;2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluorofluoren-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159369640
3-[8-[9-[4-(4-Dibenzofuran-4-ylphenyl)quinazolin-2-yl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-[4-(3-isocyanophenyl)quinazolin-2-yl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole;3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole;3-[9-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 159679525
(14E)-14-[1-benzofuran-4-yl(1-benzofuran-7-yl)methylidene]-5-fluoro-19-phenyl-8,11,13,15,17,20-hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaene
CID 160767282
5-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[3-methyl-4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole;5-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole;bis(8-[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene)
CID 160828696
15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-oxa-17,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;12-phenyl-17-oxa-9-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1,3,5,7,9,11,13,15,18,20,22,24-dodecaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 161212579
3-(3-Carbazol-9-ylphenyl)-9-phenylcarbazole;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[3-methyl-4-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole;5-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole;8-[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 161979872
5-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[3-methyl-4-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole;5-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;8-[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 162253280

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The IUPAC name of 9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 157155646) is 9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.
What is the SMILES notation for 9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The canonical SMILES for 9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is c1cc(-c2cccc(-c3nc4ccccc4c4nc5ccccn5c34)c2)cc(-c2ccc3oc4ccccc4c3c2)c1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6c6nc7ccccn7c56)cc4)cc3)cc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4nc5ccccc5c5nc6ccccn6c45)cc3)cc21.
What is the InChIKey of 9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The InChIKey is ALTSQSNNTLKPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3.C45H27N3.C38H23N3O/c1-5-15-42-37(11-1)38-12-2-6-16-43(38)51(42)44-17-7-3-13-39(44)40-29-28-36(31-45(40)51)34-22-20-32(21-23-34)33-24-26-35(27-25-33)48-50-49(41-14-4-8-18-46(41)52-48)53-47-19-9-10-30-54(47)50;1-5-15-36-31(11-1)32-12-2-6-16-37(32)45(36)38-17-7-3-13-33(38)34-25-24-30(27-39(34)45)28-20-22-29(23-21-28)42-44-43(35-14-4-8-18-40(35)46-42)47-41-19-9-10-26-48(41)44;1-3-15-32-30(14-1)37-38(41-20-6-5-17-35(41)40-37)36(39-32)28-12-8-11-26(22-28)24-9-7-10-25(21-24)27-18-19-34-31(23-27)29-13-2-4-16-33(29)42-34/h1-31H;1-27H;1-23H.
What are the key properties of 9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 1833.18 g/mol, XLogP of 33.03, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 157155646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).