20-(3,5-diphenylphenyl)-11-oxa-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-oxa-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;20-(3,5-diphenylphenyl)-11-thia-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-thia-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene

C168H104N8O2S2 — CID 160525842

IUPAC20-(3,5-diphenylphenyl)-11-oxa-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-oxa-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;20-(3,5-diphenylphenyl)-11-thia-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-thia-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-n4c5cc6c(cc5c5cccc3c54)oc3ccccc36)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-n4c5cc6c(cc5c5cccc3c54)sc3ccccc36)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-n4c5cc6oc7ccccc7c6cc5c5cccc3c54)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-n4c5cc6sc7ccccc7c6cc5c5cccc3c54)c2)cc1
InChIInChI=1S/2C42H26N2O.2C42H26N2S/c1-3-12-27(13-4-1)29-22-30(28-14-5-2-6-15-28)24-31(23-29)43-36-18-8-9-19-37(36)44-39-25-35-32-16-7-10-21-40(32)45-41(35)26-34(39)33-17-11-20-38(43)42(33)44;1-3-12-27(13-4-1)29-22-30(28-14-5-2-6-15-28)24-31(23-29)43-36-18-8-9-19-37(36)44-39-26-41-35(32-16-7-10-21-40(32)45-41)25-34(39)33-17-11-20-38(43)42(33)44;1-3-12-27(13-4-1)29-22-30(28-14-5-2-6-15-28)24-31(23-29)43-36-18-8-9-19-37(36)44-39-25-35-32-16-7-10-21-40(32)45-41(35)26-34(39)33-17-11-20-38(43)42(33)44;1-3-12-27(13-4-1)29-22-30(28-14-5-2-6-15-28)24-31(23-29)43-36-18-8-9-19-37(36)44-39-26-41-35(32-16-7-10-21-40(32)45-41)25-34(39)33-17-11-20-38(43)42(33)44/h4*1-26H
InChIKeyQUWLOXWGGIAKID-UHFFFAOYSA-N
MW2330.87 g/mol
LogP48.14
Rot. Bonds12

About 20-(3,5-diphenylphenyl)-11-oxa-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-oxa-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;20-(3,5-diphenylphenyl)-11-thia-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-thia-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene

20-(3,5-diphenylphenyl)-11-oxa-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-oxa-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;20-(3,5-diphenylphenyl)-11-thia-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-thia-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene (PubChem CID 160525842) has the molecular formula C168H104N8O2S2 and a molecular weight of 2330.87 g/mol. Its IUPAC name is 20-(3,5-diphenylphenyl)-11-oxa-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-oxa-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;20-(3,5-diphenylphenyl)-11-thia-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-thia-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene.

Molecular Properties

Compound Name20-(3,5-diphenylphenyl)-11-oxa-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-oxa-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;20-(3,5-diphenylphenyl)-11-thia-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-thia-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene
PubChem CID160525842
Molecular FormulaC168H104N8O2S2
Molecular Weight2330.87 g/mol
Exact Mass2328.77
IUPAC Name20-(3,5-diphenylphenyl)-11-oxa-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-oxa-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;20-(3,5-diphenylphenyl)-11-thia-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-thia-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-n4c5cc6c(cc5c5cccc3c54)oc3ccccc36)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-n4c5cc6c(cc5c5cccc3c54)sc3ccccc36)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-n4c5cc6oc7ccccc7c6cc5c5cccc3c54)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-n4c5cc6sc7ccccc7c6cc5c5cccc3c54)c2)cc1
InChIInChI=1S/2C42H26N2O.2C42H26N2S/c1-3-12-27(13-4-1)29-22-30(28-14-5-2-6-15-28)24-31(23-29)43-36-18-8-9-19-37(36)44-39-25-35-32-16-7-10-21-40(32)45-41(35)26-34(39)33-17-11-20-38(43)42(33)44;1-3-12-27(13-4-1)29-22-30(28-14-5-2-6-15-28)24-31(23-29)43-36-18-8-9-19-37(36)44-39-26-41-35(32-16-7-10-21-40(32)45-41)25-34(39)33-17-11-20-38(43)42(33)44;1-3-12-27(13-4-1)29-22-30(28-14-5-2-6-15-28)24-31(23-29)43-36-18-8-9-19-37(36)44-39-25-35-32-16-7-10-21-40(32)45-41(35)26-34(39)33-17-11-20-38(43)42(33)44;1-3-12-27(13-4-1)29-22-30(28-14-5-2-6-15-28)24-31(23-29)43-36-18-8-9-19-37(36)44-39-26-41-35(32-16-7-10-21-40(32)45-41)25-34(39)33-17-11-20-38(43)42(33)44/h4*1-26H
InChIKeyQUWLOXWGGIAKID-UHFFFAOYSA-N
XLogP48.14
TPSA58.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002330.87
LogP ≤ 548.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 20-(3,5-diphenylphenyl)-11-oxa-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-oxa-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;20-(3,5-diphenylphenyl)-11-thia-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-thia-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 159253152
5,11-diphenylindolo[3,2-b]carbazole;11-methyl-[1]benzofuro[3,2-b]carbazole;5-methyl-11-phenylindolo[3,2-b]carbazole;11-phenyl-[1]benzofuro[3,2-b]carbazole;11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 158354854
7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 142356250
10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009360
30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361076
3-dibenzofuran-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-3-yl]carbazole;3-dibenzothiophen-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 158998789
7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223424
3-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160571144
3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole
CID 90265537
11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole
CID 118502879
2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163669765
19-phenanthren-9-yl-15-phenyl-11-thia-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;19-phenyl-15-(3-phenylphenyl)-11-thia-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;15-phenyl-19-(4-phenylquinazolin-2-yl)-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 160642696

Frequently Asked Questions

What is the IUPAC name of 20-(3,5-diphenylphenyl)-11-oxa-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-oxa-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;20-(3,5-diphenylphenyl)-11-thia-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-thia-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene?
The IUPAC name of 20-(3,5-diphenylphenyl)-11-oxa-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-oxa-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;20-(3,5-diphenylphenyl)-11-thia-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-thia-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene (CID 160525842) is 20-(3,5-diphenylphenyl)-11-oxa-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-oxa-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;20-(3,5-diphenylphenyl)-11-thia-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-thia-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene.
What is the SMILES notation for 20-(3,5-diphenylphenyl)-11-oxa-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-oxa-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;20-(3,5-diphenylphenyl)-11-thia-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-thia-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene?
The canonical SMILES for 20-(3,5-diphenylphenyl)-11-oxa-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-oxa-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;20-(3,5-diphenylphenyl)-11-thia-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-thia-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene is c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-n4c5cc6c(cc5c5cccc3c54)oc3ccccc36)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-n4c5cc6c(cc5c5cccc3c54)sc3ccccc36)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-n4c5cc6oc7ccccc7c6cc5c5cccc3c54)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-n4c5cc6sc7ccccc7c6cc5c5cccc3c54)c2)cc1.
What is the InChIKey of 20-(3,5-diphenylphenyl)-11-oxa-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-oxa-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;20-(3,5-diphenylphenyl)-11-thia-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-thia-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene?
The InChIKey is QUWLOXWGGIAKID-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H26N2O.2C42H26N2S/c1-3-12-27(13-4-1)29-22-30(28-14-5-2-6-15-28)24-31(23-29)43-36-18-8-9-19-37(36)44-39-25-35-32-16-7-10-21-40(32)45-41(35)26-34(39)33-17-11-20-38(43)42(33)44;1-3-12-27(13-4-1)29-22-30(28-14-5-2-6-15-28)24-31(23-29)43-36-18-8-9-19-37(36)44-39-26-41-35(32-16-7-10-21-40(32)45-41)25-34(39)33-17-11-20-38(43)42(33)44;1-3-12-27(13-4-1)29-22-30(28-14-5-2-6-15-28)24-31(23-29)43-36-18-8-9-19-37(36)44-39-25-35-32-16-7-10-21-40(32)45-41(35)26-34(39)33-17-11-20-38(43)42(33)44;1-3-12-27(13-4-1)29-22-30(28-14-5-2-6-15-28)24-31(23-29)43-36-18-8-9-19-37(36)44-39-26-41-35(32-16-7-10-21-40(32)45-41)25-34(39)33-17-11-20-38(43)42(33)44/h4*1-26H.
What are the key properties of 20-(3,5-diphenylphenyl)-11-oxa-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-oxa-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;20-(3,5-diphenylphenyl)-11-thia-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-thia-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene?
20-(3,5-diphenylphenyl)-11-oxa-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-oxa-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;20-(3,5-diphenylphenyl)-11-thia-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-thia-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene has a molecular weight of 2330.87 g/mol, XLogP of 48.14, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(3,5-diphenylphenyl)-11-oxa-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-oxa-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene;20-(3,5-diphenylphenyl)-11-thia-1,20-diazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(3,5-diphenylphenyl)-11-thia-15,22-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene is sourced from PubChem (CID 160525842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).