17,17-dimethyl-20-[2-(2-phenylphenyl)phenyl]-9-oxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;17,17-dimethyl-12-(3-phenylphenyl)-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;2-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]-N-phenylnaphthalen-2-amine;2-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;21-phenyl-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene;12-[2-(2-phenylphenyl)phenyl]-9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;21-[2-(2-phenylphenyl)phenyl]-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene

C301H175N3O3S10 — CID 165061575

About 17,17-dimethyl-20-[2-(2-phenylphenyl)phenyl]-9-oxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;17,17-dimethyl-12-(3-phenylphenyl)-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;2-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]-N-phenylnaphthalen-2-amine;2-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;21-phenyl-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene;12-[2-(2-phenylphenyl)phenyl]-9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;21-[2-(2-phenylphenyl)phenyl]-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene

17,17-dimethyl-20-[2-(2-phenylphenyl)phenyl]-9-oxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;17,17-dimethyl-12-(3-phenylphenyl)-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;2-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]-N-phenylnaphthalen-2-amine;2-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;21-phenyl-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene;12-[2-(2-phenylphenyl)phenyl]-9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;21-[2-(2-phenylphenyl)phenyl]-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene (PubChem CID 165061575) has the molecular formula C301H175N3O3S10 and a molecular weight of 4202.40 g/mol. Its IUPAC name is 17,17-dimethyl-20-[2-(2-phenylphenyl)phenyl]-9-oxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;17,17-dimethyl-12-(3-phenylphenyl)-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;2-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]-N-phenylnaphthalen-2-amine;2-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;21-phenyl-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene;12-[2-(2-phenylphenyl)phenyl]-9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;21-[2-(2-phenylphenyl)phenyl]-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene.

Molecular Properties

• Compound Name: 17,17-dimethyl-20-[2-(2-phenylphenyl)phenyl]-9-oxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;17,17-dimethyl-12-(3-phenylphenyl)-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;2-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]-N-phenylnaphthalen-2-amine;2-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;21-phenyl-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene;12-[2-(2-phenylphenyl)phenyl]-9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;21-[2-(2-phenylphenyl)phenyl]-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene
• PubChem CID: 165061575
• Molecular Formula: C301H175N3O3S10
• Molecular Weight: 4202.40 g/mol
• Exact Mass: 4198.08
• IUPAC Name: 17,17-dimethyl-20-[2-(2-phenylphenyl)phenyl]-9-oxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;17,17-dimethyl-12-(3-phenylphenyl)-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;2-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]-N-phenylnaphthalen-2-amine;2-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;21-phenyl-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene;12-[2-(2-phenylphenyl)phenyl]-9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;21-[2-(2-phenylphenyl)phenyl]-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene
• SMILES: CC1(C)c2cc(-c3ccccc3-c3ccccc3-c3ccccc3)cc3c2-c2c1ccc1ccc4oc5cccc-3c5c4c21.CC1(C)c2cccc3c2-c2c1ccc1c(-c4cccc(-c5ccccc5)c4)cc4sc5cccc-3c5c4c21.CC1(C)c2cccc3c2-c2c1ccc1c(-c4cccc(-c5ccccc5)n4)cc4sc5cccc-3c5c4c21.c1ccc(-c2ccc3sc4ccc5ccc6oc7cccc8c7c6c5c4c3c2-8)cc1.c1ccc(-c2cccc(-c3cc4sc5cccc6c5c4c4c3ccc3sc5cccc-6c5c34)n2)cc1.c1ccc(-c2ccccc2-c2ccccc2-c2cc3sc4cccc5c4c3c3c2ccc2sc4cccc-5c4c23)cc1.c1ccc(-c2ccccc2-c2ccccc2-c2ccc3sc4ccc5ccc6oc7cccc8c7c6c5c4c3c2-8)cc1.c1ccc(N(c2cccc(-c3cc4sc5cccc6c5c4c4c3ccc3sc5cccc-6c5c34)c2)c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C44H25NS2.C43H28O.C40H22OS.C40H22S2.C37H24S.C36H23NS.C33H17NS2.C28H14OS/c1-2-12-29(13-3-1)45(31-20-19-26-9-4-5-10-27(26)23-31)30-14-6-11-28(24-30)35-25-39-44-41-33(16-8-18-37(41)47-39)32-15-7-17-36-40(32)43-38(46-36)22-21-34(35)42(43)44;1-43(2)34-21-19-26-20-22-37-42-38(26)41(34)39-33(32-17-10-18-36(44-37)40(32)42)23-27(24-35(39)43)29-14-7-9-16-31(29)30-15-8-6-13-28(30)25-11-4-3-5-12-25;1-2-9-23(10-3-1)25-11-4-5-12-26(25)27-13-6-7-14-28(27)29-19-22-34-40-36(29)30-15-8-16-31-37(30)38-32(41-31)20-17-24-18-21-33(42-34)39(40)35(24)38;1-2-10-23(11-3-1)24-12-4-5-13-25(24)26-14-6-7-15-27(26)31-22-35-40-37-29(17-9-19-33(37)42-35)28-16-8-18-32-36(28)39-34(41-32)21-20-30(31)38(39)40;1-37(2)28-15-7-13-24-25-14-8-16-30-33(25)36-31(38-30)20-27(26-17-18-29(37)35(32(24)28)34(26)36)23-12-6-11-22(19-23)21-9-4-3-5-10-21;1-36(2)25-13-6-11-21-22-12-7-16-29-32(22)35-30(38-29)19-24(23-17-18-26(36)34(31(21)25)33(23)35)28-15-8-14-27(37-28)20-9-4-3-5-10-20;1-2-7-18(8-3-1)23-11-6-12-24(34-23)22-17-28-33-30-20(10-5-14-26(30)36-28)19-9-4-13-25-29(19)32-27(35-25)16-15-21(22)31(32)33;1-2-5-15(6-3-1)17-11-14-22-28-24(17)18-7-4-8-19-25(18)26-20(29-19)12-9-16-10-13-21(30-22)27(28)23(16)26/h1-25H;3-24H,1-2H3;2*1-22H;3-20H,1-2H3;3-19H,1-2H3;1-17H;1-14H
• InChIKey: RHJJCZLENIGRMW-UHFFFAOYSA-N
• XLogP: 90.61
• TPSA: 68.44 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 317
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4202.40
LogP ≤ 5	90.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 17,17-dimethyl-20-[2-(2-phenylphenyl)phenyl]-9-oxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;17,17-dimethyl-12-(3-phenylphenyl)-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;2-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]-N-phenylnaphthalen-2-amine;2-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;21-phenyl-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene;12-[2-(2-phenylphenyl)phenyl]-9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;21-[2-(2-phenylphenyl)phenyl]-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene?

The IUPAC name of 17,17-dimethyl-20-[2-(2-phenylphenyl)phenyl]-9-oxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;17,17-dimethyl-12-(3-phenylphenyl)-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;2-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]-N-phenylnaphthalen-2-amine;2-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;21-phenyl-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene;12-[2-(2-phenylphenyl)phenyl]-9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;21-[2-(2-phenylphenyl)phenyl]-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene (CID 165061575) is 17,17-dimethyl-20-[2-(2-phenylphenyl)phenyl]-9-oxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;17,17-dimethyl-12-(3-phenylphenyl)-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;2-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]-N-phenylnaphthalen-2-amine;2-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;21-phenyl-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene;12-[2-(2-phenylphenyl)phenyl]-9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;21-[2-(2-phenylphenyl)phenyl]-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene.

What is the SMILES notation for 17,17-dimethyl-20-[2-(2-phenylphenyl)phenyl]-9-oxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;17,17-dimethyl-12-(3-phenylphenyl)-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;2-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]-N-phenylnaphthalen-2-amine;2-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;21-phenyl-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene;12-[2-(2-phenylphenyl)phenyl]-9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;21-[2-(2-phenylphenyl)phenyl]-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene?

The canonical SMILES for 17,17-dimethyl-20-[2-(2-phenylphenyl)phenyl]-9-oxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;17,17-dimethyl-12-(3-phenylphenyl)-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;2-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]-N-phenylnaphthalen-2-amine;2-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;21-phenyl-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene;12-[2-(2-phenylphenyl)phenyl]-9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;21-[2-(2-phenylphenyl)phenyl]-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene is CC1(C)c2cc(-c3ccccc3-c3ccccc3-c3ccccc3)cc3c2-c2c1ccc1ccc4oc5cccc-3c5c4c21.CC1(C)c2cccc3c2-c2c1ccc1c(-c4cccc(-c5ccccc5)c4)cc4sc5cccc-3c5c4c21.CC1(C)c2cccc3c2-c2c1ccc1c(-c4cccc(-c5ccccc5)n4)cc4sc5cccc-3c5c4c21.c1ccc(-c2ccc3sc4ccc5ccc6oc7cccc8c7c6c5c4c3c2-8)cc1.c1ccc(-c2cccc(-c3cc4sc5cccc6c5c4c4c3ccc3sc5cccc-6c5c34)n2)cc1.c1ccc(-c2ccccc2-c2ccccc2-c2cc3sc4cccc5c4c3c3c2ccc2sc4cccc-5c4c23)cc1.c1ccc(-c2ccccc2-c2ccccc2-c2ccc3sc4ccc5ccc6oc7cccc8c7c6c5c4c3c2-8)cc1.c1ccc(N(c2cccc(-c3cc4sc5cccc6c5c4c4c3ccc3sc5cccc-6c5c34)c2)c2ccc3ccccc3c2)cc1.

What is the InChIKey of 17,17-dimethyl-20-[2-(2-phenylphenyl)phenyl]-9-oxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;17,17-dimethyl-12-(3-phenylphenyl)-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;2-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]-N-phenylnaphthalen-2-amine;2-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;21-phenyl-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene;12-[2-(2-phenylphenyl)phenyl]-9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;21-[2-(2-phenylphenyl)phenyl]-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene?

The InChIKey is RHJJCZLENIGRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25NS2.C43H28O.C40H22OS.C40H22S2.C37H24S.C36H23NS.C33H17NS2.C28H14OS/c1-2-12-29(13-3-1)45(31-20-19-26-9-4-5-10-27(26)23-31)30-14-6-11-28(24-30)35-25-39-44-41-33(16-8-18-37(41)47-39)32-15-7-17-36-40(32)43-38(46-36)22-21-34(35)42(43)44;1-43(2)34-21-19-26-20-22-37-42-38(26)41(34)39-33(32-17-10-18-36(44-37)40(32)42)23-27(24-35(39)43)29-14-7-9-16-31(29)30-15-8-6-13-28(30)25-11-4-3-5-12-25;1-2-9-23(10-3-1)25-11-4-5-12-26(25)27-13-6-7-14-28(27)29-19-22-34-40-36(29)30-15-8-16-31-37(30)38-32(41-31)20-17-24-18-21-33(42-34)39(40)35(24)38;1-2-10-23(11-3-1)24-12-4-5-13-25(24)26-14-6-7-15-27(26)31-22-35-40-37-29(17-9-19-33(37)42-35)28-16-8-18-32-36(28)39-34(41-32)21-20-30(31)38(39)40;1-37(2)28-15-7-13-24-25-14-8-16-30-33(25)36-31(38-30)20-27(26-17-18-29(37)35(32(24)28)34(26)36)23-12-6-11-22(19-23)21-9-4-3-5-10-21;1-36(2)25-13-6-11-21-22-12-7-16-29-32(22)35-30(38-29)19-24(23-17-18-26(36)34(31(21)25)33(23)35)28-15-8-14-27(37-28)20-9-4-3-5-10-20;1-2-7-18(8-3-1)23-11-6-12-24(34-23)22-17-28-33-30-20(10-5-14-26(30)36-28)19-9-4-13-25-29(19)32-27(35-25)16-15-21(22)31(32)33;1-2-5-15(6-3-1)17-11-14-22-28-24(17)18-7-4-8-19-25(18)26-20(29-19)12-9-16-10-13-21(30-22)27(28)23(16)26/h1-25H;3-24H,1-2H3;2*1-22H;3-20H,1-2H3;3-19H,1-2H3;1-17H;1-14H.

What are the key properties of 17,17-dimethyl-20-[2-(2-phenylphenyl)phenyl]-9-oxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;17,17-dimethyl-12-(3-phenylphenyl)-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;2-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]-N-phenylnaphthalen-2-amine;2-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;21-phenyl-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene;12-[2-(2-phenylphenyl)phenyl]-9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;21-[2-(2-phenylphenyl)phenyl]-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene?

17,17-dimethyl-20-[2-(2-phenylphenyl)phenyl]-9-oxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;17,17-dimethyl-12-(3-phenylphenyl)-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;2-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]-N-phenylnaphthalen-2-amine;2-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;21-phenyl-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene;12-[2-(2-phenylphenyl)phenyl]-9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;21-[2-(2-phenylphenyl)phenyl]-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene has a molecular weight of 4202.40 g/mol, XLogP of 90.61, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 17,17-dimethyl-20-[2-(2-phenylphenyl)phenyl]-9-oxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;17,17-dimethyl-12-(3-phenylphenyl)-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;2-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]-N-phenylnaphthalen-2-amine;2-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)-6-phenylpyridine;21-phenyl-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene;12-[2-(2-phenylphenyl)phenyl]-9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene;21-[2-(2-phenylphenyl)phenyl]-9-oxa-17-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene is sourced from PubChem (CID 165061575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).