12-dibenzothiophen-2-yl-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;N-[3-(17,17-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaen-20-yl)phenyl]-N-phenyldibenzofuran-3-amine;17,17-dimethyl-12-[2-(2-phenylphenyl)phenyl]-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;4-(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)-N,N-diphenylaniline;N-[3-(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)phenyl]-N-phenylphenanthren-2-amine;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-phenyldibenzofuran-3-amine;21-(3-phenylphenyl)-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

C300H182N4O4S9 — CID 165107526

About 12-dibenzothiophen-2-yl-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;N-[3-(17,17-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaen-20-yl)phenyl]-N-phenyldibenzofuran-3-amine;17,17-dimethyl-12-[2-(2-phenylphenyl)phenyl]-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;4-(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)-N,N-diphenylaniline;N-[3-(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)phenyl]-N-phenylphenanthren-2-amine;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-phenyldibenzofuran-3-amine;21-(3-phenylphenyl)-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-dibenzothiophen-2-yl-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;N-[3-(17,17-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaen-20-yl)phenyl]-N-phenyldibenzofuran-3-amine;17,17-dimethyl-12-[2-(2-phenylphenyl)phenyl]-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;4-(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)-N,N-diphenylaniline;N-[3-(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)phenyl]-N-phenylphenanthren-2-amine;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-phenyldibenzofuran-3-amine;21-(3-phenylphenyl)-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 165107526) has the molecular formula C300H182N4O4S9 and a molecular weight of 4195.38 g/mol. Its IUPAC name is 12-dibenzothiophen-2-yl-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;N-[3-(17,17-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaen-20-yl)phenyl]-N-phenyldibenzofuran-3-amine;17,17-dimethyl-12-[2-(2-phenylphenyl)phenyl]-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;4-(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)-N,N-diphenylaniline;N-[3-(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)phenyl]-N-phenylphenanthren-2-amine;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-phenyldibenzofuran-3-amine;21-(3-phenylphenyl)-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: 12-dibenzothiophen-2-yl-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;N-[3-(17,17-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaen-20-yl)phenyl]-N-phenyldibenzofuran-3-amine;17,17-dimethyl-12-[2-(2-phenylphenyl)phenyl]-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;4-(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)-N,N-diphenylaniline;N-[3-(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)phenyl]-N-phenylphenanthren-2-amine;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-phenyldibenzofuran-3-amine;21-(3-phenylphenyl)-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: 165107526
• Molecular Formula: C300H182N4O4S9
• Molecular Weight: 4195.38 g/mol
• Exact Mass: 4191.16
• IUPAC Name: 12-dibenzothiophen-2-yl-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;N-[3-(17,17-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaen-20-yl)phenyl]-N-phenyldibenzofuran-3-amine;17,17-dimethyl-12-[2-(2-phenylphenyl)phenyl]-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;4-(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)-N,N-diphenylaniline;N-[3-(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)phenyl]-N-phenylphenanthren-2-amine;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-phenyldibenzofuran-3-amine;21-(3-phenylphenyl)-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(-c3cccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)c3)ccc2-c2c1ccc1ccc3oc4ccccc4c3c21.CC1(C)c2cccc3c2-c2c1ccc1c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc4sc5cccc-3c5c4c21.CC1(C)c2cccc3c2-c2c1ccc1c(-c4cccc(N(c5ccccc5)c5ccc6c(ccc7ccccc76)c5)c4)cc4sc5cccc-3c5c4c21.CC1(C)c2cccc3c2-c2c1ccc1c(-c4ccccc4-c4ccccc4-c4ccccc4)cc4sc5cccc-3c5c4c21.c1ccc(-c2cccc(-c3ccc4sc5ccc6ccc7oc8cccc9c8c7c6c5c4c3-9)c2)cc1.c1ccc(N(c2cccc(-c3cc4sc5cccc6c5c4c4c3ccc3sc5cccc-6c5c34)c2)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc2c(c1)sc1ccc(-c3cc4sc5cccc6c5c4c4c3ccc3sc5cccc-6c5c34)cc12
• InChI: InChI=1S/C51H33NS.C49H33NO2.C46H25NOS2.C43H29NS.C43H28S.C34H18OS.C34H16S3/c1-51(2)42-19-9-17-38-39-18-10-20-44-47(39)50-45(53-44)29-41(40-25-26-43(51)49(46(38)42)48(40)50)31-12-8-15-34(27-31)52(33-13-4-3-5-14-33)35-23-24-37-32(28-35)22-21-30-11-6-7-16-36(30)37;1-49(2)40-25-20-30-21-26-44-48(39-16-7-9-18-43(39)51-44)46(30)47(40)38-23-19-32(28-41(38)49)31-11-10-14-34(27-31)50(33-12-4-3-5-13-33)35-22-24-37-36-15-6-8-17-42(36)52-45(37)29-35;1-2-10-27(11-3-1)47(29-19-20-31-30-13-4-5-16-36(30)48-37(31)24-29)28-12-6-9-26(23-28)35-25-41-46-43-33(15-8-18-39(43)50-41)32-14-7-17-38-42(32)45-40(49-38)22-21-34(35)44(45)46;1-43(2)34-17-9-15-30-31-16-10-18-36-39(31)42-37(45-36)25-33(32-23-24-35(43)41(38(30)34)40(32)42)26-19-21-29(22-20-26)44(27-11-5-3-6-12-27)28-13-7-4-8-14-28;1-43(2)34-20-10-18-30-31-19-11-21-36-39(31)42-37(44-36)24-33(32-22-23-35(43)41(38(30)34)40(32)42)29-17-9-8-16-28(29)27-15-7-6-14-26(27)25-12-4-3-5-13-25;1-2-6-19(7-3-1)21-8-4-9-22(18-21)23-14-17-28-34-30(23)24-10-5-11-25-31(24)32-26(35-25)15-12-20-13-16-27(36-28)33(34)29(20)32;1-2-8-24-18(5-1)23-15-17(11-13-25(23)35-24)22-16-29-34-31-20(7-4-10-27(31)37-29)19-6-3-9-26-30(19)33-28(36-26)14-12-21(22)32(33)34/h3-29H,1-2H3;3-29H,1-2H3;1-25H;3-25H,1-2H3;3-24H,1-2H3;1-18H;1-16H
• InChIKey: ZJVUSHNTHFOSDH-UHFFFAOYSA-N
• XLogP: 90.75
• TPSA: 65.52 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 22
• Heavy Atoms: 317
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4195.38
LogP ≤ 5	90.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 12-dibenzothiophen-2-yl-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;N-[3-(17,17-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaen-20-yl)phenyl]-N-phenyldibenzofuran-3-amine;17,17-dimethyl-12-[2-(2-phenylphenyl)phenyl]-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;4-(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)-N,N-diphenylaniline;N-[3-(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)phenyl]-N-phenylphenanthren-2-amine;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-phenyldibenzofuran-3-amine;21-(3-phenylphenyl)-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 12-dibenzothiophen-2-yl-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;N-[3-(17,17-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaen-20-yl)phenyl]-N-phenyldibenzofuran-3-amine;17,17-dimethyl-12-[2-(2-phenylphenyl)phenyl]-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;4-(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)-N,N-diphenylaniline;N-[3-(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)phenyl]-N-phenylphenanthren-2-amine;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-phenyldibenzofuran-3-amine;21-(3-phenylphenyl)-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 165107526) is 12-dibenzothiophen-2-yl-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;N-[3-(17,17-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaen-20-yl)phenyl]-N-phenyldibenzofuran-3-amine;17,17-dimethyl-12-[2-(2-phenylphenyl)phenyl]-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;4-(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)-N,N-diphenylaniline;N-[3-(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)phenyl]-N-phenylphenanthren-2-amine;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-phenyldibenzofuran-3-amine;21-(3-phenylphenyl)-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 12-dibenzothiophen-2-yl-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;N-[3-(17,17-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaen-20-yl)phenyl]-N-phenyldibenzofuran-3-amine;17,17-dimethyl-12-[2-(2-phenylphenyl)phenyl]-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;4-(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)-N,N-diphenylaniline;N-[3-(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)phenyl]-N-phenylphenanthren-2-amine;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-phenyldibenzofuran-3-amine;21-(3-phenylphenyl)-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 12-dibenzothiophen-2-yl-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;N-[3-(17,17-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaen-20-yl)phenyl]-N-phenyldibenzofuran-3-amine;17,17-dimethyl-12-[2-(2-phenylphenyl)phenyl]-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;4-(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)-N,N-diphenylaniline;N-[3-(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)phenyl]-N-phenylphenanthren-2-amine;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-phenyldibenzofuran-3-amine;21-(3-phenylphenyl)-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(-c3cccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)c3)ccc2-c2c1ccc1ccc3oc4ccccc4c3c21.CC1(C)c2cccc3c2-c2c1ccc1c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc4sc5cccc-3c5c4c21.CC1(C)c2cccc3c2-c2c1ccc1c(-c4cccc(N(c5ccccc5)c5ccc6c(ccc7ccccc76)c5)c4)cc4sc5cccc-3c5c4c21.CC1(C)c2cccc3c2-c2c1ccc1c(-c4ccccc4-c4ccccc4-c4ccccc4)cc4sc5cccc-3c5c4c21.c1ccc(-c2cccc(-c3ccc4sc5ccc6ccc7oc8cccc9c8c7c6c5c4c3-9)c2)cc1.c1ccc(N(c2cccc(-c3cc4sc5cccc6c5c4c4c3ccc3sc5cccc-6c5c34)c2)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc2c(c1)sc1ccc(-c3cc4sc5cccc6c5c4c4c3ccc3sc5cccc-6c5c34)cc12.

What is the InChIKey of 12-dibenzothiophen-2-yl-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;N-[3-(17,17-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaen-20-yl)phenyl]-N-phenyldibenzofuran-3-amine;17,17-dimethyl-12-[2-(2-phenylphenyl)phenyl]-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;4-(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)-N,N-diphenylaniline;N-[3-(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)phenyl]-N-phenylphenanthren-2-amine;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-phenyldibenzofuran-3-amine;21-(3-phenylphenyl)-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 ZJVUSHNTHFOSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33NS.C49H33NO2.C46H25NOS2.C43H29NS.C43H28S.C34H18OS.C34H16S3/c1-51(2)42-19-9-17-38-39-18-10-20-44-47(39)50-45(53-44)29-41(40-25-26-43(51)49(46(38)42)48(40)50)31-12-8-15-34(27-31)52(33-13-4-3-5-14-33)35-23-24-37-32(28-35)22-21-30-11-6-7-16-36(30)37;1-49(2)40-25-20-30-21-26-44-48(39-16-7-9-18-43(39)51-44)46(30)47(40)38-23-19-32(28-41(38)49)31-11-10-14-34(27-31)50(33-12-4-3-5-13-33)35-22-24-37-36-15-6-8-17-42(36)52-45(37)29-35;1-2-10-27(11-3-1)47(29-19-20-31-30-13-4-5-16-36(30)48-37(31)24-29)28-12-6-9-26(23-28)35-25-41-46-43-33(15-8-18-39(43)50-41)32-14-7-17-38-42(32)45-40(49-38)22-21-34(35)44(45)46;1-43(2)34-17-9-15-30-31-16-10-18-36-39(31)42-37(45-36)25-33(32-23-24-35(43)41(38(30)34)40(32)42)26-19-21-29(22-20-26)44(27-11-5-3-6-12-27)28-13-7-4-8-14-28;1-43(2)34-20-10-18-30-31-19-11-21-36-39(31)42-37(44-36)24-33(32-22-23-35(43)41(38(30)34)40(32)42)29-17-9-8-16-28(29)27-15-7-6-14-26(27)25-12-4-3-5-13-25;1-2-6-19(7-3-1)21-8-4-9-22(18-21)23-14-17-28-34-30(23)24-10-5-11-25-31(24)32-26(35-25)15-12-20-13-16-27(36-28)33(34)29(20)32;1-2-8-24-18(5-1)23-15-17(11-13-25(23)35-24)22-16-29-34-31-20(7-4-10-27(31)37-29)19-6-3-9-26-30(19)33-28(36-26)14-12-21(22)32(33)34/h3-29H,1-2H3;3-29H,1-2H3;1-25H;3-25H,1-2H3;3-24H,1-2H3;1-18H;1-16H.

What are the key properties of 12-dibenzothiophen-2-yl-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;N-[3-(17,17-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaen-20-yl)phenyl]-N-phenyldibenzofuran-3-amine;17,17-dimethyl-12-[2-(2-phenylphenyl)phenyl]-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;4-(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)-N,N-diphenylaniline;N-[3-(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)phenyl]-N-phenylphenanthren-2-amine;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-phenyldibenzofuran-3-amine;21-(3-phenylphenyl)-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-dibenzothiophen-2-yl-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;N-[3-(17,17-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaen-20-yl)phenyl]-N-phenyldibenzofuran-3-amine;17,17-dimethyl-12-[2-(2-phenylphenyl)phenyl]-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;4-(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)-N,N-diphenylaniline;N-[3-(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)phenyl]-N-phenylphenanthren-2-amine;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-phenyldibenzofuran-3-amine;21-(3-phenylphenyl)-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 4195.38 g/mol, XLogP of 90.75, 22 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 12-dibenzothiophen-2-yl-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;N-[3-(17,17-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaen-20-yl)phenyl]-N-phenyldibenzofuran-3-amine;17,17-dimethyl-12-[2-(2-phenylphenyl)phenyl]-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;4-(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)-N,N-diphenylaniline;N-[3-(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)phenyl]-N-phenylphenanthren-2-amine;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-phenyldibenzofuran-3-amine;21-(3-phenylphenyl)-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 165107526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).