7,18-diphenyl-22-(16-phenyl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16(21),17,19-undecaene;4-(6-phenylnaphthalen-2-yl)-2-(3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-yl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[4-(3-thia-30-azaoctacyclo[15.15.0.02,14.04,13.05,10.019,31.020,29.023,28]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,17,19(31),20(29),21,23,25,27-pentadecaen-30-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine

C154H87N9O2S4 — CID 158070718

IUPAC7,18-diphenyl-22-(16-phenyl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16(21),17,19-undecaene;4-(6-phenylnaphthalen-2-yl)-2-(3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-yl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[4-(3-thia-30-azaoctacyclo[15.15.0.02,14.04,13.05,10.019,31.020,29.023,28]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,17,19(31),20(29),21,23,25,27-pentadecaen-30-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2ccc3cc(-c4nc(-n5c6ccccc6c6cc7ccc8c9ccccc9sc8c7cc65)nc5oc6ccccc6c45)ccc3c2)cc1.c1ccc(-c2ccc3sc4c5cc6c(cc5ccc4c3c2)c2cc(-c3ccccc3)ccc2n6-c2nc(-c3ccccc3)c3c(n2)sc2ccc4ccccc4c23)cc1.c1ccc(-c2nc(-c3ccc(-n4c5cc6c(ccc7c8ccc9ccccc9c8sc67)cc5c5ccc6ccccc6c54)cc3)nc3oc4ccccc4c23)cc1
InChIInChI=1S/C54H31N3S2.C52H29N3OS.C48H27N3OS/c1-4-12-32(13-5-1)36-21-25-45-42(28-36)43-30-38-20-24-40-44-29-37(33-14-6-2-7-15-33)23-26-47(44)58-52(40)41(38)31-46(43)57(45)54-55-51(35-17-8-3-9-18-35)50-49-39-19-11-10-16-34(39)22-27-48(49)59-53(50)56-54;1-2-12-32(13-3-1)47-46-41-16-8-9-17-45(41)56-52(46)54-51(53-47)33-18-23-35(24-19-33)55-44-29-42-34(28-43(44)38-25-20-30-10-4-6-14-36(30)48(38)55)22-27-40-39-26-21-31-11-5-7-15-37(31)49(39)57-50(40)42;1-2-10-28(11-3-1)29-18-19-31-25-33(21-20-30(31)24-29)45-44-37-14-5-8-16-42(37)52-47(44)50-48(49-45)51-40-15-7-4-12-34(40)39-26-32-22-23-36-35-13-6-9-17-43(35)53-46(36)38(32)27-41(39)51/h1-31H;1-29H;1-27H
InChIKeyFLUFDTDTNKAPPN-UHFFFAOYSA-N
MW2223.72 g/mol
LogP43.73
Rot. Bonds10

About 7,18-diphenyl-22-(16-phenyl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16(21),17,19-undecaene;4-(6-phenylnaphthalen-2-yl)-2-(3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-yl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[4-(3-thia-30-azaoctacyclo[15.15.0.02,14.04,13.05,10.019,31.020,29.023,28]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,17,19(31),20(29),21,23,25,27-pentadecaen-30-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine

7,18-diphenyl-22-(16-phenyl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16(21),17,19-undecaene;4-(6-phenylnaphthalen-2-yl)-2-(3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-yl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[4-(3-thia-30-azaoctacyclo[15.15.0.02,14.04,13.05,10.019,31.020,29.023,28]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,17,19(31),20(29),21,23,25,27-pentadecaen-30-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 158070718) has the molecular formula C154H87N9O2S4 and a molecular weight of 2223.72 g/mol. Its IUPAC name is 7,18-diphenyl-22-(16-phenyl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16(21),17,19-undecaene;4-(6-phenylnaphthalen-2-yl)-2-(3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-yl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[4-(3-thia-30-azaoctacyclo[15.15.0.02,14.04,13.05,10.019,31.020,29.023,28]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,17,19(31),20(29),21,23,25,27-pentadecaen-30-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name7,18-diphenyl-22-(16-phenyl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16(21),17,19-undecaene;4-(6-phenylnaphthalen-2-yl)-2-(3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-yl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[4-(3-thia-30-azaoctacyclo[15.15.0.02,14.04,13.05,10.019,31.020,29.023,28]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,17,19(31),20(29),21,23,25,27-pentadecaen-30-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
PubChem CID158070718
Molecular FormulaC154H87N9O2S4
Molecular Weight2223.72 g/mol
Exact Mass2221.59
IUPAC Name7,18-diphenyl-22-(16-phenyl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16(21),17,19-undecaene;4-(6-phenylnaphthalen-2-yl)-2-(3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-yl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[4-(3-thia-30-azaoctacyclo[15.15.0.02,14.04,13.05,10.019,31.020,29.023,28]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,17,19(31),20(29),21,23,25,27-pentadecaen-30-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2ccc3cc(-c4nc(-n5c6ccccc6c6cc7ccc8c9ccccc9sc8c7cc65)nc5oc6ccccc6c45)ccc3c2)cc1.c1ccc(-c2ccc3sc4c5cc6c(cc5ccc4c3c2)c2cc(-c3ccccc3)ccc2n6-c2nc(-c3ccccc3)c3c(n2)sc2ccc4ccccc4c23)cc1.c1ccc(-c2nc(-c3ccc(-n4c5cc6c(ccc7c8ccc9ccccc9c8sc67)cc5c5ccc6ccccc6c54)cc3)nc3oc4ccccc4c23)cc1
InChIInChI=1S/C54H31N3S2.C52H29N3OS.C48H27N3OS/c1-4-12-32(13-5-1)36-21-25-45-42(28-36)43-30-38-20-24-40-44-29-37(33-14-6-2-7-15-33)23-26-47(44)58-52(40)41(38)31-46(43)57(45)54-55-51(35-17-8-3-9-18-35)50-49-39-19-11-10-16-34(39)22-27-48(49)59-53(50)56-54;1-2-12-32(13-3-1)47-46-41-16-8-9-17-45(41)56-52(46)54-51(53-47)33-18-23-35(24-19-33)55-44-29-42-34(28-43(44)38-25-20-30-10-4-6-14-36(30)48(38)55)22-27-40-39-26-21-31-11-5-7-15-37(31)49(39)57-50(40)42;1-2-10-28(11-3-1)29-18-19-31-25-33(21-20-30(31)24-29)45-44-37-14-5-8-16-42(37)52-47(44)50-48(49-45)51-40-15-7-4-12-34(40)39-26-32-22-23-36-35-13-6-9-17-43(35)53-46(36)38(32)27-41(39)51/h1-31H;1-29H;1-27H
InChIKeyFLUFDTDTNKAPPN-UHFFFAOYSA-N
XLogP43.73
TPSA118.41 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002223.72
LogP ≤ 543.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 7,18-diphenyl-22-(16-phenyl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16(21),17,19-undecaene;4-(6-phenylnaphthalen-2-yl)-2-(3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-yl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[4-(3-thia-30-azaoctacyclo[15.15.0.02,14.04,13.05,10.019,31.020,29.023,28]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,17,19(31),20(29),21,23,25,27-pentadecaen-30-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine with MolForge

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Related Compounds

2-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 130333643
2-([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 129224914
bis(2-carbazol-9-yl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine);tetrakis(2,4-di(carbazol-9-yl)-[1]benzofuro[2,3-d]pyrimidine);12-phenyl-14-(4-phenylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-phenyl-14-(4-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 158683970
8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[a]carbazole;2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;10-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole;3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 157341997
2-(4-benzo[b]carbazol-5-ylphenyl)-4-dibenzothiophen-3-yl-[1]benzofuro[2,3-d]pyrimidine
CID 146392014
4-phenyl-2-(11-thia-28-azaheptacyclo[15.11.0.03,15.04,12.05,10.018,27.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18,20,22,24,26-tridecaen-28-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 126621518
2-[7-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;11-[7-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[a]carbazole;5-[7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-11-phenylbenzo[b]carbazole;5-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 163823065
12-[1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[1-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;12-[1-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 164988071
5-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 163791051
12-[4-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 130334115
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 130333587
4-phenyl-2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 130333492

Frequently Asked Questions

What is the IUPAC name of 7,18-diphenyl-22-(16-phenyl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16(21),17,19-undecaene;4-(6-phenylnaphthalen-2-yl)-2-(3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-yl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[4-(3-thia-30-azaoctacyclo[15.15.0.02,14.04,13.05,10.019,31.020,29.023,28]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,17,19(31),20(29),21,23,25,27-pentadecaen-30-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 7,18-diphenyl-22-(16-phenyl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16(21),17,19-undecaene;4-(6-phenylnaphthalen-2-yl)-2-(3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-yl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[4-(3-thia-30-azaoctacyclo[15.15.0.02,14.04,13.05,10.019,31.020,29.023,28]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,17,19(31),20(29),21,23,25,27-pentadecaen-30-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine (CID 158070718) is 7,18-diphenyl-22-(16-phenyl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16(21),17,19-undecaene;4-(6-phenylnaphthalen-2-yl)-2-(3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-yl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[4-(3-thia-30-azaoctacyclo[15.15.0.02,14.04,13.05,10.019,31.020,29.023,28]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,17,19(31),20(29),21,23,25,27-pentadecaen-30-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 7,18-diphenyl-22-(16-phenyl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16(21),17,19-undecaene;4-(6-phenylnaphthalen-2-yl)-2-(3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-yl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[4-(3-thia-30-azaoctacyclo[15.15.0.02,14.04,13.05,10.019,31.020,29.023,28]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,17,19(31),20(29),21,23,25,27-pentadecaen-30-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 7,18-diphenyl-22-(16-phenyl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16(21),17,19-undecaene;4-(6-phenylnaphthalen-2-yl)-2-(3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-yl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[4-(3-thia-30-azaoctacyclo[15.15.0.02,14.04,13.05,10.019,31.020,29.023,28]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,17,19(31),20(29),21,23,25,27-pentadecaen-30-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine is c1ccc(-c2ccc3cc(-c4nc(-n5c6ccccc6c6cc7ccc8c9ccccc9sc8c7cc65)nc5oc6ccccc6c45)ccc3c2)cc1.c1ccc(-c2ccc3sc4c5cc6c(cc5ccc4c3c2)c2cc(-c3ccccc3)ccc2n6-c2nc(-c3ccccc3)c3c(n2)sc2ccc4ccccc4c23)cc1.c1ccc(-c2nc(-c3ccc(-n4c5cc6c(ccc7c8ccc9ccccc9c8sc67)cc5c5ccc6ccccc6c54)cc3)nc3oc4ccccc4c23)cc1.
What is the InChIKey of 7,18-diphenyl-22-(16-phenyl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16(21),17,19-undecaene;4-(6-phenylnaphthalen-2-yl)-2-(3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-yl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[4-(3-thia-30-azaoctacyclo[15.15.0.02,14.04,13.05,10.019,31.020,29.023,28]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,17,19(31),20(29),21,23,25,27-pentadecaen-30-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is FLUFDTDTNKAPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31N3S2.C52H29N3OS.C48H27N3OS/c1-4-12-32(13-5-1)36-21-25-45-42(28-36)43-30-38-20-24-40-44-29-37(33-14-6-2-7-15-33)23-26-47(44)58-52(40)41(38)31-46(43)57(45)54-55-51(35-17-8-3-9-18-35)50-49-39-19-11-10-16-34(39)22-27-48(49)59-53(50)56-54;1-2-12-32(13-3-1)47-46-41-16-8-9-17-45(41)56-52(46)54-51(53-47)33-18-23-35(24-19-33)55-44-29-42-34(28-43(44)38-25-20-30-10-4-6-14-36(30)48(38)55)22-27-40-39-26-21-31-11-5-7-15-37(31)49(39)57-50(40)42;1-2-10-28(11-3-1)29-18-19-31-25-33(21-20-30(31)24-29)45-44-37-14-5-8-16-42(37)52-47(44)50-48(49-45)51-40-15-7-4-12-34(40)39-26-32-22-23-36-35-13-6-9-17-43(35)53-46(36)38(32)27-41(39)51/h1-31H;1-29H;1-27H.
What are the key properties of 7,18-diphenyl-22-(16-phenyl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16(21),17,19-undecaene;4-(6-phenylnaphthalen-2-yl)-2-(3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-yl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[4-(3-thia-30-azaoctacyclo[15.15.0.02,14.04,13.05,10.019,31.020,29.023,28]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,17,19(31),20(29),21,23,25,27-pentadecaen-30-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine?
7,18-diphenyl-22-(16-phenyl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16(21),17,19-undecaene;4-(6-phenylnaphthalen-2-yl)-2-(3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-yl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[4-(3-thia-30-azaoctacyclo[15.15.0.02,14.04,13.05,10.019,31.020,29.023,28]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,17,19(31),20(29),21,23,25,27-pentadecaen-30-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 2223.72 g/mol, XLogP of 43.73, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7,18-diphenyl-22-(16-phenyl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16(21),17,19-undecaene;4-(6-phenylnaphthalen-2-yl)-2-(3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-yl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[4-(3-thia-30-azaoctacyclo[15.15.0.02,14.04,13.05,10.019,31.020,29.023,28]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,17,19(31),20(29),21,23,25,27-pentadecaen-30-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 158070718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).