19-(3,5-diphenylphenyl)-3-oxa-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3,5-diphenylphenyl)-3-thia-16,19-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(26),20,22,24,27-tridecaene;19-(3,5-diphenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3-phenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-phenyl-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene

C197H118N10OS4 — CID 158683715

IUPAC19-(3,5-diphenylphenyl)-3-oxa-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3,5-diphenylphenyl)-3-thia-16,19-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(26),20,22,24,27-tridecaene;19-(3,5-diphenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3-phenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-phenyl-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c(ncc6c5sc5ccc7ccccc7c56)c43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cnc5c(ccc6c5oc5ccc7ccccc7c56)c43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cnc5c(ccc6c5sc5ccc7ccccc7c56)c43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cnc5c(ccc6c7ccc8ccccc8c7sc65)c43)c2)cc1.c1ccc(-n2c3ccccc3c3cnc4c(ccc5c6ccc7ccccc7c6sc54)c32)cc1
InChIInChI=1S/C43H26N2O.2C43H26N2S.C37H22N2S.C31H18N2S/c2*1-3-11-27(12-4-1)30-23-31(28-13-5-2-6-14-28)25-32(24-30)45-38-18-10-9-17-34(38)37-26-44-41-36(42(37)45)21-20-35-40-33-16-8-7-15-29(33)19-22-39(40)46-43(35)41;1-3-11-27(12-4-1)30-23-31(28-13-5-2-6-14-28)25-32(24-30)45-38-18-10-9-17-34(38)35-20-21-36-41(42(35)45)44-26-37-40-33-16-8-7-15-29(33)19-22-39(40)46-43(36)37;1-2-9-23(10-3-1)25-12-8-13-26(21-25)39-33-16-7-6-15-28(33)32-22-38-34-31(35(32)39)20-19-30-29-18-17-24-11-4-5-14-27(24)36(29)40-37(30)34;1-2-9-20(10-3-1)33-27-13-7-6-12-22(27)26-18-32-28-25(29(26)33)17-16-24-23-15-14-19-8-4-5-11-21(19)30(23)34-31(24)28/h3*1-26H;1-22H;1-18H
InChIKeyIFLRSRXEMNUSNT-UHFFFAOYSA-N
MW2769.45 g/mol
LogP55.47
Rot. Bonds12

About 19-(3,5-diphenylphenyl)-3-oxa-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3,5-diphenylphenyl)-3-thia-16,19-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(26),20,22,24,27-tridecaene;19-(3,5-diphenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3-phenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-phenyl-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene

19-(3,5-diphenylphenyl)-3-oxa-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3,5-diphenylphenyl)-3-thia-16,19-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(26),20,22,24,27-tridecaene;19-(3,5-diphenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3-phenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-phenyl-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene (PubChem CID 158683715) has the molecular formula C197H118N10OS4 and a molecular weight of 2769.45 g/mol. Its IUPAC name is 19-(3,5-diphenylphenyl)-3-oxa-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3,5-diphenylphenyl)-3-thia-16,19-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(26),20,22,24,27-tridecaene;19-(3,5-diphenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3-phenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-phenyl-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene.

Molecular Properties

Compound Name19-(3,5-diphenylphenyl)-3-oxa-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3,5-diphenylphenyl)-3-thia-16,19-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(26),20,22,24,27-tridecaene;19-(3,5-diphenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3-phenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-phenyl-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene
PubChem CID158683715
Molecular FormulaC197H118N10OS4
Molecular Weight2769.45 g/mol
Exact Mass2766.84
IUPAC Name19-(3,5-diphenylphenyl)-3-oxa-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3,5-diphenylphenyl)-3-thia-16,19-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(26),20,22,24,27-tridecaene;19-(3,5-diphenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3-phenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-phenyl-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c(ncc6c5sc5ccc7ccccc7c56)c43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cnc5c(ccc6c5oc5ccc7ccccc7c56)c43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cnc5c(ccc6c5sc5ccc7ccccc7c56)c43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cnc5c(ccc6c7ccc8ccccc8c7sc65)c43)c2)cc1.c1ccc(-n2c3ccccc3c3cnc4c(ccc5c6ccc7ccccc7c6sc54)c32)cc1
InChIInChI=1S/C43H26N2O.2C43H26N2S.C37H22N2S.C31H18N2S/c2*1-3-11-27(12-4-1)30-23-31(28-13-5-2-6-14-28)25-32(24-30)45-38-18-10-9-17-34(38)37-26-44-41-36(42(37)45)21-20-35-40-33-16-8-7-15-29(33)19-22-39(40)46-43(35)41;1-3-11-27(12-4-1)30-23-31(28-13-5-2-6-14-28)25-32(24-30)45-38-18-10-9-17-34(38)35-20-21-36-41(42(35)45)44-26-37-40-33-16-8-7-15-29(33)19-22-39(40)46-43(36)37;1-2-9-23(10-3-1)25-12-8-13-26(21-25)39-33-16-7-6-15-28(33)32-22-38-34-31(35(32)39)20-19-30-29-18-17-24-11-4-5-14-27(24)36(29)40-37(30)34;1-2-9-20(10-3-1)33-27-13-7-6-12-22(27)26-18-32-28-25(29(26)33)17-16-24-23-15-14-19-8-4-5-11-21(19)30(23)34-31(24)28/h3*1-26H;1-22H;1-18H
InChIKeyIFLRSRXEMNUSNT-UHFFFAOYSA-N
XLogP55.47
TPSA102.24 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002769.45
LogP ≤ 555.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 19-(3,5-diphenylphenyl)-3-oxa-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3,5-diphenylphenyl)-3-thia-16,19-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(26),20,22,24,27-tridecaene;19-(3,5-diphenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3-phenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-phenyl-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene with MolForge

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Related Compounds

15-[4-(3,5-diphenylphenyl)phenyl]-12-thia-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 122466080
15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
CID 118506333
3-(3,5-diphenylphenyl)-7-phenyl-15-thia-3,12-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16,18,20,23-undecaene;bis(3-(3,5-diphenylphenyl)-15-thia-3,12-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene)
CID 158624388
3-[3-(4-phenylphenyl)phenyl]-14-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 122465787
14-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 137456617
9-(3-phenylphenyl)-18-thia-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 134184292
8-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827902
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CID 118502961
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CID 142572060
1-[4-naphthalen-1-yl-6-(3-naphtho[1,2-b][1]benzothiol-9-yl-5-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736807
7-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828600
12-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(3-phenylphenyl)-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701832

Frequently Asked Questions

What is the IUPAC name of 19-(3,5-diphenylphenyl)-3-oxa-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3,5-diphenylphenyl)-3-thia-16,19-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(26),20,22,24,27-tridecaene;19-(3,5-diphenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3-phenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-phenyl-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene?
The IUPAC name of 19-(3,5-diphenylphenyl)-3-oxa-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3,5-diphenylphenyl)-3-thia-16,19-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(26),20,22,24,27-tridecaene;19-(3,5-diphenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3-phenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-phenyl-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene (CID 158683715) is 19-(3,5-diphenylphenyl)-3-oxa-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3,5-diphenylphenyl)-3-thia-16,19-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(26),20,22,24,27-tridecaene;19-(3,5-diphenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3-phenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-phenyl-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene.
What is the SMILES notation for 19-(3,5-diphenylphenyl)-3-oxa-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3,5-diphenylphenyl)-3-thia-16,19-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(26),20,22,24,27-tridecaene;19-(3,5-diphenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3-phenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-phenyl-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene?
The canonical SMILES for 19-(3,5-diphenylphenyl)-3-oxa-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3,5-diphenylphenyl)-3-thia-16,19-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(26),20,22,24,27-tridecaene;19-(3,5-diphenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3-phenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-phenyl-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c(ncc6c5sc5ccc7ccccc7c56)c43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cnc5c(ccc6c5oc5ccc7ccccc7c56)c43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cnc5c(ccc6c5sc5ccc7ccccc7c56)c43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cnc5c(ccc6c7ccc8ccccc8c7sc65)c43)c2)cc1.c1ccc(-n2c3ccccc3c3cnc4c(ccc5c6ccc7ccccc7c6sc54)c32)cc1.
What is the InChIKey of 19-(3,5-diphenylphenyl)-3-oxa-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3,5-diphenylphenyl)-3-thia-16,19-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(26),20,22,24,27-tridecaene;19-(3,5-diphenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3-phenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-phenyl-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene?
The InChIKey is IFLRSRXEMNUSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O.2C43H26N2S.C37H22N2S.C31H18N2S/c2*1-3-11-27(12-4-1)30-23-31(28-13-5-2-6-14-28)25-32(24-30)45-38-18-10-9-17-34(38)37-26-44-41-36(42(37)45)21-20-35-40-33-16-8-7-15-29(33)19-22-39(40)46-43(35)41;1-3-11-27(12-4-1)30-23-31(28-13-5-2-6-14-28)25-32(24-30)45-38-18-10-9-17-34(38)35-20-21-36-41(42(35)45)44-26-37-40-33-16-8-7-15-29(33)19-22-39(40)46-43(36)37;1-2-9-23(10-3-1)25-12-8-13-26(21-25)39-33-16-7-6-15-28(33)32-22-38-34-31(35(32)39)20-19-30-29-18-17-24-11-4-5-14-27(24)36(29)40-37(30)34;1-2-9-20(10-3-1)33-27-13-7-6-12-22(27)26-18-32-28-25(29(26)33)17-16-24-23-15-14-19-8-4-5-11-21(19)30(23)34-31(24)28/h3*1-26H;1-22H;1-18H.
What are the key properties of 19-(3,5-diphenylphenyl)-3-oxa-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3,5-diphenylphenyl)-3-thia-16,19-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(26),20,22,24,27-tridecaene;19-(3,5-diphenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3-phenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-phenyl-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene?
19-(3,5-diphenylphenyl)-3-oxa-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3,5-diphenylphenyl)-3-thia-16,19-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(26),20,22,24,27-tridecaene;19-(3,5-diphenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3-phenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-phenyl-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene has a molecular weight of 2769.45 g/mol, XLogP of 55.47, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(3,5-diphenylphenyl)-3-oxa-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3,5-diphenylphenyl)-3-thia-16,19-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(26),20,22,24,27-tridecaene;19-(3,5-diphenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3-phenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-phenyl-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene is sourced from PubChem (CID 158683715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).