15,15-dimethyl-3,24-diphenyl-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-3,24-diphenyl-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-3,24-diphenyl-15-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;14,14-dimethyl-16-phenyl-3-pyridin-2-yl-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene

C207H153N15O3S3 — CID 160888938

IUPAC15,15-dimethyl-3,24-diphenyl-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-3,24-diphenyl-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-3,24-diphenyl-15-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;14,14-dimethyl-16-phenyl-3-pyridin-2-yl-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene
SMILESCC1(C)c2ccc3c4ccccc4n(-c4ccccn4)c3c2Oc2c1c1ccccc1n2-c1ccccc1.CC1(C)c2ccc3c4ccccc4n(-c4ccccn4)c3c2Oc2c1n(-c1ccccc1)c1ccccc21.CC1(C)c2ccccc2N(c2ccccc2)c2c1sc1c2ccc2c3ccccc3n(-c3ccccn3)c21.CC1(C)c2ccccc2Oc2c1c1ccc3c4ccccc4n(-c4ccccc4)c3c1n2-c1ccccc1.CC1(C)c2ccccc2Sc2c1c1ccc3c4ccccc4n(-c4ccccc4)c3c1n2-c1ccccc1.CC1(C)c2ccccc2Sc2c1n(-c1ccccc1)c1c2ccc2c3ccccc3n(-c3ccccc3)c21
InChIInChI=1S/C35H26N2O.2C35H26N2S.2C34H25N3O.C34H25N3S/c2*1-35(2)28-18-10-12-20-30(28)38-34-31(35)27-22-21-26-25-17-9-11-19-29(25)36(23-13-5-3-6-14-23)32(26)33(27)37(34)24-15-7-4-8-16-24;1-35(2)28-18-10-12-20-30(28)38-33-27-22-21-26-25-17-9-11-19-29(25)36(23-13-5-3-6-14-23)31(26)32(27)37(34(33)35)24-15-7-4-8-16-24;1-34(2)26-20-19-24-23-14-6-8-16-27(23)37(29-18-10-11-21-35-29)31(24)32(26)38-33-30(34)25-15-7-9-17-28(25)36(33)22-12-4-3-5-13-22;1-34(2)26-20-19-24-23-14-6-8-16-27(23)37(29-18-10-11-21-35-29)30(24)32(26)38-31-25-15-7-9-17-28(25)36(33(31)34)22-12-4-3-5-13-22;1-34(2)26-15-7-9-17-28(26)36(22-12-4-3-5-13-22)31-25-20-19-24-23-14-6-8-16-27(23)37(29-18-10-11-21-35-29)30(24)32(25)38-33(31)34/h3*3-22H,1-2H3;3*3-21H,1-2H3
InChIKeySNZTWPSXENDKGS-UHFFFAOYSA-N
MW2994.80 g/mol
LogP54.81
Rot. Bonds12

About 15,15-dimethyl-3,24-diphenyl-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-3,24-diphenyl-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-3,24-diphenyl-15-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;14,14-dimethyl-16-phenyl-3-pyridin-2-yl-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene

15,15-dimethyl-3,24-diphenyl-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-3,24-diphenyl-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-3,24-diphenyl-15-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;14,14-dimethyl-16-phenyl-3-pyridin-2-yl-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene (PubChem CID 160888938) has the molecular formula C207H153N15O3S3 and a molecular weight of 2994.80 g/mol. Its IUPAC name is 15,15-dimethyl-3,24-diphenyl-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-3,24-diphenyl-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-3,24-diphenyl-15-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;14,14-dimethyl-16-phenyl-3-pyridin-2-yl-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene.

Molecular Properties

Compound Name15,15-dimethyl-3,24-diphenyl-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-3,24-diphenyl-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-3,24-diphenyl-15-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;14,14-dimethyl-16-phenyl-3-pyridin-2-yl-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene
PubChem CID160888938
Molecular FormulaC207H153N15O3S3
Molecular Weight2994.80 g/mol
Exact Mass2992.14
IUPAC Name15,15-dimethyl-3,24-diphenyl-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-3,24-diphenyl-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-3,24-diphenyl-15-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;14,14-dimethyl-16-phenyl-3-pyridin-2-yl-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene
SMILESCC1(C)c2ccc3c4ccccc4n(-c4ccccn4)c3c2Oc2c1c1ccccc1n2-c1ccccc1.CC1(C)c2ccc3c4ccccc4n(-c4ccccn4)c3c2Oc2c1n(-c1ccccc1)c1ccccc21.CC1(C)c2ccccc2N(c2ccccc2)c2c1sc1c2ccc2c3ccccc3n(-c3ccccn3)c21.CC1(C)c2ccccc2Oc2c1c1ccc3c4ccccc4n(-c4ccccc4)c3c1n2-c1ccccc1.CC1(C)c2ccccc2Sc2c1c1ccc3c4ccccc4n(-c4ccccc4)c3c1n2-c1ccccc1.CC1(C)c2ccccc2Sc2c1n(-c1ccccc1)c1c2ccc2c3ccccc3n(-c3ccccc3)c21
InChIInChI=1S/C35H26N2O.2C35H26N2S.2C34H25N3O.C34H25N3S/c2*1-35(2)28-18-10-12-20-30(28)38-34-31(35)27-22-21-26-25-17-9-11-19-29(25)36(23-13-5-3-6-14-23)32(26)33(27)37(34)24-15-7-4-8-16-24;1-35(2)28-18-10-12-20-30(28)38-33-27-22-21-26-25-17-9-11-19-29(25)36(23-13-5-3-6-14-23)31(26)32(27)37(34(33)35)24-15-7-4-8-16-24;1-34(2)26-20-19-24-23-14-6-8-16-27(23)37(29-18-10-11-21-35-29)31(24)32(26)38-33-30(34)25-15-7-9-17-28(25)36(33)22-12-4-3-5-13-22;1-34(2)26-20-19-24-23-14-6-8-16-27(23)37(29-18-10-11-21-35-29)30(24)32(26)38-31-25-15-7-9-17-28(25)36(33(31)34)22-12-4-3-5-13-22;1-34(2)26-15-7-9-17-28(26)36(22-12-4-3-5-13-22)31-25-20-19-24-23-14-6-8-16-27(23)37(29-18-10-11-21-35-29)30(24)32(25)38-33(31)34/h3*3-22H,1-2H3;3*3-21H,1-2H3
InChIKeySNZTWPSXENDKGS-UHFFFAOYSA-N
XLogP54.81
TPSA123.83 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002994.80
LogP ≤ 554.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 15,15-dimethyl-3,24-diphenyl-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-3,24-diphenyl-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-3,24-diphenyl-15-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;14,14-dimethyl-16-phenyl-3-pyridin-2-yl-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-3,24-diphenyl-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-3,24-diphenyl-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-3,24-diphenyl-15-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;14,14-dimethyl-16-phenyl-3-pyridin-2-yl-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene?
The IUPAC name of 15,15-dimethyl-3,24-diphenyl-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-3,24-diphenyl-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-3,24-diphenyl-15-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;14,14-dimethyl-16-phenyl-3-pyridin-2-yl-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene (CID 160888938) is 15,15-dimethyl-3,24-diphenyl-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-3,24-diphenyl-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-3,24-diphenyl-15-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;14,14-dimethyl-16-phenyl-3-pyridin-2-yl-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene.
What is the SMILES notation for 15,15-dimethyl-3,24-diphenyl-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-3,24-diphenyl-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-3,24-diphenyl-15-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;14,14-dimethyl-16-phenyl-3-pyridin-2-yl-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene?
The canonical SMILES for 15,15-dimethyl-3,24-diphenyl-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-3,24-diphenyl-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-3,24-diphenyl-15-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;14,14-dimethyl-16-phenyl-3-pyridin-2-yl-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene is CC1(C)c2ccc3c4ccccc4n(-c4ccccn4)c3c2Oc2c1c1ccccc1n2-c1ccccc1.CC1(C)c2ccc3c4ccccc4n(-c4ccccn4)c3c2Oc2c1n(-c1ccccc1)c1ccccc21.CC1(C)c2ccccc2N(c2ccccc2)c2c1sc1c2ccc2c3ccccc3n(-c3ccccn3)c21.CC1(C)c2ccccc2Oc2c1c1ccc3c4ccccc4n(-c4ccccc4)c3c1n2-c1ccccc1.CC1(C)c2ccccc2Sc2c1c1ccc3c4ccccc4n(-c4ccccc4)c3c1n2-c1ccccc1.CC1(C)c2ccccc2Sc2c1n(-c1ccccc1)c1c2ccc2c3ccccc3n(-c3ccccc3)c21.
What is the InChIKey of 15,15-dimethyl-3,24-diphenyl-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-3,24-diphenyl-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-3,24-diphenyl-15-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;14,14-dimethyl-16-phenyl-3-pyridin-2-yl-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene?
The InChIKey is SNZTWPSXENDKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2O.2C35H26N2S.2C34H25N3O.C34H25N3S/c2*1-35(2)28-18-10-12-20-30(28)38-34-31(35)27-22-21-26-25-17-9-11-19-29(25)36(23-13-5-3-6-14-23)32(26)33(27)37(34)24-15-7-4-8-16-24;1-35(2)28-18-10-12-20-30(28)38-33-27-22-21-26-25-17-9-11-19-29(25)36(23-13-5-3-6-14-23)31(26)32(27)37(34(33)35)24-15-7-4-8-16-24;1-34(2)26-20-19-24-23-14-6-8-16-27(23)37(29-18-10-11-21-35-29)31(24)32(26)38-33-30(34)25-15-7-9-17-28(25)36(33)22-12-4-3-5-13-22;1-34(2)26-20-19-24-23-14-6-8-16-27(23)37(29-18-10-11-21-35-29)30(24)32(26)38-31-25-15-7-9-17-28(25)36(33(31)34)22-12-4-3-5-13-22;1-34(2)26-15-7-9-17-28(26)36(22-12-4-3-5-13-22)31-25-20-19-24-23-14-6-8-16-27(23)37(29-18-10-11-21-35-29)30(24)32(25)38-33(31)34/h3*3-22H,1-2H3;3*3-21H,1-2H3.
What are the key properties of 15,15-dimethyl-3,24-diphenyl-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-3,24-diphenyl-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-3,24-diphenyl-15-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;14,14-dimethyl-16-phenyl-3-pyridin-2-yl-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene?
15,15-dimethyl-3,24-diphenyl-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-3,24-diphenyl-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-3,24-diphenyl-15-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;14,14-dimethyl-16-phenyl-3-pyridin-2-yl-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene has a molecular weight of 2994.80 g/mol, XLogP of 54.81, 12 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethyl-3,24-diphenyl-22-oxa-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;15,15-dimethyl-3,24-diphenyl-22-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;22,22-dimethyl-3,24-diphenyl-15-thia-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene;14,14-dimethyl-16-phenyl-3-pyridin-2-yl-24-oxa-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene;14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22,22-dimethyl-15-phenyl-3-pyridin-2-yl-24-thia-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),16,18,20-decaene is sourced from PubChem (CID 160888938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).