29,29-diphenyl-15-oxa-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;29,29-diphenyl-15-thia-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;spiro[15-thia-11,40-diaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene-29,9'-fluorene];15,29,29-triphenyl-11,15,40-triaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene

C235H131N17OS2Si3+8 — CID 158914063

IUPAC29,29-diphenyl-15-oxa-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;29,29-diphenyl-15-thia-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;spiro[15-thia-11,40-diaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene-29,9'-fluorene];15,29,29-triphenyl-11,15,40-triaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccc6c7c5c5n(c4cc32)c2ccccc2[n+]5C72c3c(ccc4c5ccccc5n5c7ccccc7[n+]2c5c34)[Si]6(c2ccccc2)c2ccccc2)cc1.c1ccc([Si]2(c3ccccc3)c3ccc4c5ccccc5n5c6ccccc6[n+]6c5c4c3C63c4c2ccc2c5cc6c(cc5n5c7ccccc7[n+]3c5c42)oc2ccccc26)cc1.c1ccc([Si]2(c3ccccc3)c3ccc4c5ccccc5n5c6ccccc6[n+]6c5c4c3C63c4c2ccc2c5cc6c(cc5n5c7ccccc7[n+]3c5c42)sc2ccccc26)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccc3c4ccccc4n4c5ccccc5[n+]5c4c3c2C52c3c1ccc1c4cc5c(cc4n4c6ccccc6[n+]2c4c31)sc1ccccc15
InChIInChI=1S/C63H37N5Si.C58H30N4S.C57H32N4OSi.C57H32N4SSi/c1-4-18-38(19-5-1)64-47-26-12-11-25-42(47)45-36-46-44-33-35-56-60-58(44)62-66(54(46)37-53(45)64)50-29-15-17-31-52(50)68(62)63(60)59-55(69(56,39-20-6-2-7-21-39)40-22-8-3-9-23-40)34-32-43-41-24-10-13-27-48(41)65-49-28-14-16-30-51(49)67(63)61(65)57(43)59;1-5-17-39-31(13-1)32-14-2-6-18-40(32)57(39)41-27-25-35-33-15-3-7-19-43(33)59-44-20-8-10-22-46(44)61-55(59)51(35)53(41)58(61)54-42(57)28-26-36-37-29-38-34-16-4-12-24-49(34)63-50(38)30-48(37)60-45-21-9-11-23-47(45)62(58)56(60)52(36)54;2*1-3-15-33(16-4-1)63(34-17-5-2-6-18-34)49-29-27-37-35-19-7-9-21-41(35)58-42-22-10-12-24-44(42)60-55(58)51(37)53(49)57(60)54-50(63)30-28-38-39-31-40-36-20-8-14-26-47(36)62-48(40)32-46(39)59-43-23-11-13-25-45(43)61(57)56(59)52(38)54/h1-37H;1-30H;2*1-32H/q4*+2
InChIKeyQMSVWPJGYCENCH-UHFFFAOYSA-N
MW3357.14 g/mol
LogP41.92
Rot. Bonds7

About 29,29-diphenyl-15-oxa-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;29,29-diphenyl-15-thia-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;spiro[15-thia-11,40-diaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene-29,9'-fluorene];15,29,29-triphenyl-11,15,40-triaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene

29,29-diphenyl-15-oxa-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;29,29-diphenyl-15-thia-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;spiro[15-thia-11,40-diaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene-29,9'-fluorene];15,29,29-triphenyl-11,15,40-triaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene (PubChem CID 158914063) has the molecular formula C235H131N17OS2Si3+8 and a molecular weight of 3357.14 g/mol. Its IUPAC name is 29,29-diphenyl-15-oxa-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;29,29-diphenyl-15-thia-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;spiro[15-thia-11,40-diaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene-29,9'-fluorene];15,29,29-triphenyl-11,15,40-triaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene.

Molecular Properties

Compound Name29,29-diphenyl-15-oxa-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;29,29-diphenyl-15-thia-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;spiro[15-thia-11,40-diaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene-29,9'-fluorene];15,29,29-triphenyl-11,15,40-triaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene
PubChem CID158914063
Molecular FormulaC235H131N17OS2Si3+8
Molecular Weight3357.14 g/mol
Exact Mass3353.94
IUPAC Name29,29-diphenyl-15-oxa-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;29,29-diphenyl-15-thia-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;spiro[15-thia-11,40-diaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene-29,9'-fluorene];15,29,29-triphenyl-11,15,40-triaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccc6c7c5c5n(c4cc32)c2ccccc2[n+]5C72c3c(ccc4c5ccccc5n5c7ccccc7[n+]2c5c34)[Si]6(c2ccccc2)c2ccccc2)cc1.c1ccc([Si]2(c3ccccc3)c3ccc4c5ccccc5n5c6ccccc6[n+]6c5c4c3C63c4c2ccc2c5cc6c(cc5n5c7ccccc7[n+]3c5c42)oc2ccccc26)cc1.c1ccc([Si]2(c3ccccc3)c3ccc4c5ccccc5n5c6ccccc6[n+]6c5c4c3C63c4c2ccc2c5cc6c(cc5n5c7ccccc7[n+]3c5c42)sc2ccccc26)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccc3c4ccccc4n4c5ccccc5[n+]5c4c3c2C52c3c1ccc1c4cc5c(cc4n4c6ccccc6[n+]2c4c31)sc1ccccc15
InChIInChI=1S/C63H37N5Si.C58H30N4S.C57H32N4OSi.C57H32N4SSi/c1-4-18-38(19-5-1)64-47-26-12-11-25-42(47)45-36-46-44-33-35-56-60-58(44)62-66(54(46)37-53(45)64)50-29-15-17-31-52(50)68(62)63(60)59-55(69(56,39-20-6-2-7-21-39)40-22-8-3-9-23-40)34-32-43-41-24-10-13-27-48(41)65-49-28-14-16-30-51(49)67(63)61(65)57(43)59;1-5-17-39-31(13-1)32-14-2-6-18-40(32)57(39)41-27-25-35-33-15-3-7-19-43(33)59-44-20-8-10-22-46(44)61-55(59)51(35)53(41)58(61)54-42(57)28-26-36-37-29-38-34-16-4-12-24-49(34)63-50(38)30-48(37)60-45-21-9-11-23-47(45)62(58)56(60)52(36)54;2*1-3-15-33(16-4-1)63(34-17-5-2-6-18-34)49-29-27-37-35-19-7-9-21-41(35)58-42-22-10-12-24-44(42)60-55(58)51(37)53(49)57(60)54-50(63)30-28-38-39-31-40-36-20-8-14-26-47(36)62-48(40)32-46(39)59-43-23-11-13-25-45(43)61(57)56(59)52(38)54/h1-37H;1-30H;2*1-32H/q4*+2
InChIKeyQMSVWPJGYCENCH-UHFFFAOYSA-N
XLogP41.92
TPSA84.39 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms258
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003357.14
LogP ≤ 541.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 29,29-diphenyl-15-oxa-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;29,29-diphenyl-15-thia-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;spiro[15-thia-11,40-diaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene-29,9'-fluorene];15,29,29-triphenyl-11,15,40-triaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene with MolForge

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Related Compounds

spiro[15-thia-11,40-diaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene-29,9'-fluorene]
CID 158914064
15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118546032
15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118546078
[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;diphenyl-(9-phenylcarbazol-3-yl)-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane
CID 160702748
[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;diphenyl-(9-phenylcarbazol-1-yl)-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane
CID 161147090
7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223424
2-(10-dibenzofuran-2-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(10-dibenzofuran-3-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(10-dibenzothiophen-3-yltriphenylen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;9-phenyl-3-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole
CID 157231984
4-[3'-dibenzofuran-3-yl-6-phenyl-5'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-N,N-diphenylaniline;N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(3-phenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]aniline;N,N-diphenyl-4-[5'-[4-(N-phenylanilino)phenyl]-3',6-bis(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-4-yl]aniline
CID 160966632
N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 161079248
7-(2,6-dimethylphenyl)-23-oxa-8-aza-5,34-diazoniadecacyclo[22.10.1.01,5.02,22.03,19.04,8.09,18.011,16.028,35.029,34]pentatriaconta-2(22),3(19),4,6,9,11,13,15,17,20,24,26,28(35),29,31,33-hexadecaene;7-(2,6-dimethylphenyl)-19-oxa-8-aza-5,30-diazonianonacyclo[18.10.1.01,5.02,18.03,15.04,8.09,14.024,31.025,30]hentriaconta-2(18),3(15),4,6,9,11,13,16,20,22,24(31),25,27,29-tetradecaene;7-(2,6-dimethylphenyl)-27-oxa-8-aza-5,38-diazoniaundecacyclo[26.10.1.01,5.02,26.03,23.04,8.09,22.010,15.016,21.032,39.033,38]nonatriaconta-2(26),3(23),4,6,9(22),10,12,14,16,18,20,24,28,30,32(39),33,35,37-octadecaene;28,28-diphenyl-9,47-diaza-6,50-diazonia-28-silapentadecacyclo[27.23.0.02,6.02,50.03,27.04,24.05,9.010,23.011,16.017,22.032,52.033,46.034,39.040,45.047,51]dopentaconta-1(29),3(27),4(24),5,7,10(23),11,13,15,17,19,21,25,30,32(52),33(46),34,36,38,40,42,44,48,50-tetracosaene;27,27-diphenyl-13,41-dithia-9,45-diaza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene;13,27,27,41-tetraphenyl-9,13,41,45-tetraza-6,48-diazonia-27-silapentadecacyclo[26.22.0.02,6.02,48.03,26.04,23.05,9.010,22.012,20.014,19.031,50.032,44.034,42.035,40.045,49]pentaconta-1(28),3(26),4(23),5,7,10(22),11,14,16,18,20,24,29,31(50),32(44),33,35,37,39,42,46,48-docosaene
CID 158604294
[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;(3-carbazol-9-ylphenyl)-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenylsilane;(3-carbazol-9-ylphenyl)-diphenyl-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane
CID 163452118
4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-b]carbazole;2-phenyl-4-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 161081174

Frequently Asked Questions

What is the IUPAC name of 29,29-diphenyl-15-oxa-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;29,29-diphenyl-15-thia-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;spiro[15-thia-11,40-diaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene-29,9'-fluorene];15,29,29-triphenyl-11,15,40-triaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene?
The IUPAC name of 29,29-diphenyl-15-oxa-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;29,29-diphenyl-15-thia-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;spiro[15-thia-11,40-diaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene-29,9'-fluorene];15,29,29-triphenyl-11,15,40-triaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene (CID 158914063) is 29,29-diphenyl-15-oxa-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;29,29-diphenyl-15-thia-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;spiro[15-thia-11,40-diaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene-29,9'-fluorene];15,29,29-triphenyl-11,15,40-triaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene.
What is the SMILES notation for 29,29-diphenyl-15-oxa-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;29,29-diphenyl-15-thia-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;spiro[15-thia-11,40-diaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene-29,9'-fluorene];15,29,29-triphenyl-11,15,40-triaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene?
The canonical SMILES for 29,29-diphenyl-15-oxa-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;29,29-diphenyl-15-thia-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;spiro[15-thia-11,40-diaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene-29,9'-fluorene];15,29,29-triphenyl-11,15,40-triaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene is c1ccc(-n2c3ccccc3c3cc4c5ccc6c7c5c5n(c4cc32)c2ccccc2[n+]5C72c3c(ccc4c5ccccc5n5c7ccccc7[n+]2c5c34)[Si]6(c2ccccc2)c2ccccc2)cc1.c1ccc([Si]2(c3ccccc3)c3ccc4c5ccccc5n5c6ccccc6[n+]6c5c4c3C63c4c2ccc2c5cc6c(cc5n5c7ccccc7[n+]3c5c42)oc2ccccc26)cc1.c1ccc([Si]2(c3ccccc3)c3ccc4c5ccccc5n5c6ccccc6[n+]6c5c4c3C63c4c2ccc2c5cc6c(cc5n5c7ccccc7[n+]3c5c42)sc2ccccc26)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccc3c4ccccc4n4c5ccccc5[n+]5c4c3c2C52c3c1ccc1c4cc5c(cc4n4c6ccccc6[n+]2c4c31)sc1ccccc15.
What is the InChIKey of 29,29-diphenyl-15-oxa-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;29,29-diphenyl-15-thia-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;spiro[15-thia-11,40-diaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene-29,9'-fluorene];15,29,29-triphenyl-11,15,40-triaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene?
The InChIKey is QMSVWPJGYCENCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N5Si.C58H30N4S.C57H32N4OSi.C57H32N4SSi/c1-4-18-38(19-5-1)64-47-26-12-11-25-42(47)45-36-46-44-33-35-56-60-58(44)62-66(54(46)37-53(45)64)50-29-15-17-31-52(50)68(62)63(60)59-55(69(56,39-20-6-2-7-21-39)40-22-8-3-9-23-40)34-32-43-41-24-10-13-27-48(41)65-49-28-14-16-30-51(49)67(63)61(65)57(43)59;1-5-17-39-31(13-1)32-14-2-6-18-40(32)57(39)41-27-25-35-33-15-3-7-19-43(33)59-44-20-8-10-22-46(44)61-55(59)51(35)53(41)58(61)54-42(57)28-26-36-37-29-38-34-16-4-12-24-49(34)63-50(38)30-48(37)60-45-21-9-11-23-47(45)62(58)56(60)52(36)54;2*1-3-15-33(16-4-1)63(34-17-5-2-6-18-34)49-29-27-37-35-19-7-9-21-41(35)58-42-22-10-12-24-44(42)60-55(58)51(37)53(49)57(60)54-50(63)30-28-38-39-31-40-36-20-8-14-26-47(36)62-48(40)32-46(39)59-43-23-11-13-25-45(43)61(57)56(59)52(38)54/h1-37H;1-30H;2*1-32H/q4*+2.
What are the key properties of 29,29-diphenyl-15-oxa-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;29,29-diphenyl-15-thia-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;spiro[15-thia-11,40-diaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene-29,9'-fluorene];15,29,29-triphenyl-11,15,40-triaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene?
29,29-diphenyl-15-oxa-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;29,29-diphenyl-15-thia-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;spiro[15-thia-11,40-diaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene-29,9'-fluorene];15,29,29-triphenyl-11,15,40-triaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene has a molecular weight of 3357.14 g/mol, XLogP of 41.92, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 29,29-diphenyl-15-oxa-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;29,29-diphenyl-15-thia-11,40-diaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene;spiro[15-thia-11,40-diaza-4,47-diazoniapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene-29,9'-fluorene];15,29,29-triphenyl-11,15,40-triaza-4,47-diazonia-29-silapentadecacyclo[26.23.0.02,25.03,11.04,51.05,10.012,24.014,22.016,21.030,50.033,49.034,39.040,48.041,46.047,51]henpentaconta-1(28),2(25),3,5,7,9,12(24),13,16,18,20,22,26,30(50),31,33(49),34,36,38,41,43,45,47-tricosaene is sourced from PubChem (CID 158914063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).