18-dibenzothiophen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-dibenzothiophen-4-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(3,5-diphenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(4-phenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-triphenylen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene

C187H102N10S12 — CID 158065253

IUPAC18-dibenzothiophen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-dibenzothiophen-4-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(3,5-diphenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(4-phenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-triphenylen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5sc6ncccc6c5c5c6ccccc6sc5c43)c2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c5sc6ncccc6c5c5c6ccccc6sc5c43)cc2)cc1.c1ccc2c(c1)sc1c(-n3c4ccccc4c4c5sc6ncccc6c5c5c6ccccc6sc5c43)cccc12.c1ccc2c(c1)sc1c2c2c3cccnc3sc2c2c3ccccc3n(-c3ccc4c5ccccc5c5ccccc5c4c3)c12.c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4c5sc6ncccc6c5c5c6ccccc6sc5c43)cc12
InChIInChI=1S/C41H22N2S2.C41H24N2S2.2C35H18N2S3.C35H20N2S2/c1-2-12-26-24(10-1)25-11-3-4-13-27(25)32-22-23(19-20-28(26)32)43-33-17-7-5-14-29(33)37-38(43)40-35(30-15-6-8-18-34(30)44-40)36-31-16-9-21-42-41(31)45-39(36)37;1-3-12-25(13-4-1)27-22-28(26-14-5-2-6-15-26)24-29(23-27)43-33-19-9-7-16-30(33)37-38(43)40-35(31-17-8-10-20-34(31)44-40)36-32-18-11-21-42-41(32)45-39(36)37;1-4-14-24-21(10-1)30-31(37(24)25-15-7-12-20-19-9-2-5-16-26(19)38-32(20)25)34-28(22-11-3-6-17-27(22)39-34)29-23-13-8-18-36-35(23)40-33(29)30;1-4-12-25-21(9-1)31-32(37(25)19-15-16-28-24(18-19)20-8-2-5-13-26(20)38-28)34-29(22-10-3-6-14-27(22)39-34)30-23-11-7-17-36-35(23)40-33(30)31;1-2-9-21(10-3-1)22-16-18-23(19-17-22)37-27-14-6-4-11-24(27)31-32(37)34-29(25-12-5-7-15-28(25)38-34)30-26-13-8-20-36-35(26)39-33(30)31/h1-22H;1-24H;2*1-18H;1-20H
InChIKeyFLDJSYPAHLWDAN-UHFFFAOYSA-N
MW2873.75 g/mol
LogP57.77
Rot. Bonds8

About 18-dibenzothiophen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-dibenzothiophen-4-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(3,5-diphenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(4-phenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-triphenylen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene

18-dibenzothiophen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-dibenzothiophen-4-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(3,5-diphenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(4-phenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-triphenylen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene (PubChem CID 158065253) has the molecular formula C187H102N10S12 and a molecular weight of 2873.75 g/mol. Its IUPAC name is 18-dibenzothiophen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-dibenzothiophen-4-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(3,5-diphenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(4-phenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-triphenylen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene.

Molecular Properties

Compound Name18-dibenzothiophen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-dibenzothiophen-4-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(3,5-diphenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(4-phenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-triphenylen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene
PubChem CID158065253
Molecular FormulaC187H102N10S12
Molecular Weight2873.75 g/mol
Exact Mass2870.49
IUPAC Name18-dibenzothiophen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-dibenzothiophen-4-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(3,5-diphenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(4-phenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-triphenylen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5sc6ncccc6c5c5c6ccccc6sc5c43)c2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c5sc6ncccc6c5c5c6ccccc6sc5c43)cc2)cc1.c1ccc2c(c1)sc1c(-n3c4ccccc4c4c5sc6ncccc6c5c5c6ccccc6sc5c43)cccc12.c1ccc2c(c1)sc1c2c2c3cccnc3sc2c2c3ccccc3n(-c3ccc4c5ccccc5c5ccccc5c4c3)c12.c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4c5sc6ncccc6c5c5c6ccccc6sc5c43)cc12
InChIInChI=1S/C41H22N2S2.C41H24N2S2.2C35H18N2S3.C35H20N2S2/c1-2-12-26-24(10-1)25-11-3-4-13-27(25)32-22-23(19-20-28(26)32)43-33-17-7-5-14-29(33)37-38(43)40-35(30-15-6-8-18-34(30)44-40)36-31-16-9-21-42-41(31)45-39(36)37;1-3-12-25(13-4-1)27-22-28(26-14-5-2-6-15-26)24-29(23-27)43-33-19-9-7-16-30(33)37-38(43)40-35(31-17-8-10-20-34(31)44-40)36-32-18-11-21-42-41(32)45-39(36)37;1-4-14-24-21(10-1)30-31(37(24)25-15-7-12-20-19-9-2-5-16-26(19)38-32(20)25)34-28(22-11-3-6-17-27(22)39-34)29-23-13-8-18-36-35(23)40-33(29)30;1-4-12-25-21(9-1)31-32(37(25)19-15-16-28-24(18-19)20-8-2-5-13-26(20)38-28)34-29(22-10-3-6-14-27(22)39-34)30-23-11-7-17-36-35(23)40-33(30)31;1-2-9-21(10-3-1)22-16-18-23(19-17-22)37-27-14-6-4-11-24(27)31-32(37)34-29(25-12-5-7-15-28(25)38-34)30-26-13-8-20-36-35(26)39-33(30)31/h1-22H;1-24H;2*1-18H;1-20H
InChIKeyFLDJSYPAHLWDAN-UHFFFAOYSA-N
XLogP57.77
TPSA89.10 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds8
Heavy Atoms209
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002873.75
LogP ≤ 557.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 18-dibenzothiophen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-dibenzothiophen-4-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(3,5-diphenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(4-phenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-triphenylen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-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

Frequently Asked Questions

What is the IUPAC name of 18-dibenzothiophen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-dibenzothiophen-4-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(3,5-diphenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(4-phenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-triphenylen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene?
The IUPAC name of 18-dibenzothiophen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-dibenzothiophen-4-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(3,5-diphenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(4-phenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-triphenylen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene (CID 158065253) is 18-dibenzothiophen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-dibenzothiophen-4-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(3,5-diphenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(4-phenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-triphenylen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene.
What is the SMILES notation for 18-dibenzothiophen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-dibenzothiophen-4-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(3,5-diphenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(4-phenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-triphenylen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene?
The canonical SMILES for 18-dibenzothiophen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-dibenzothiophen-4-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(3,5-diphenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(4-phenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-triphenylen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5sc6ncccc6c5c5c6ccccc6sc5c43)c2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c5sc6ncccc6c5c5c6ccccc6sc5c43)cc2)cc1.c1ccc2c(c1)sc1c(-n3c4ccccc4c4c5sc6ncccc6c5c5c6ccccc6sc5c43)cccc12.c1ccc2c(c1)sc1c2c2c3cccnc3sc2c2c3ccccc3n(-c3ccc4c5ccccc5c5ccccc5c4c3)c12.c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4c5sc6ncccc6c5c5c6ccccc6sc5c43)cc12.
What is the InChIKey of 18-dibenzothiophen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-dibenzothiophen-4-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(3,5-diphenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(4-phenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-triphenylen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene?
The InChIKey is FLDJSYPAHLWDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H22N2S2.C41H24N2S2.2C35H18N2S3.C35H20N2S2/c1-2-12-26-24(10-1)25-11-3-4-13-27(25)32-22-23(19-20-28(26)32)43-33-17-7-5-14-29(33)37-38(43)40-35(30-15-6-8-18-34(30)44-40)36-31-16-9-21-42-41(31)45-39(36)37;1-3-12-25(13-4-1)27-22-28(26-14-5-2-6-15-26)24-29(23-27)43-33-19-9-7-16-30(33)37-38(43)40-35(31-17-8-10-20-34(31)44-40)36-32-18-11-21-42-41(32)45-39(36)37;1-4-14-24-21(10-1)30-31(37(24)25-15-7-12-20-19-9-2-5-16-26(19)38-32(20)25)34-28(22-11-3-6-17-27(22)39-34)29-23-13-8-18-36-35(23)40-33(29)30;1-4-12-25-21(9-1)31-32(37(25)19-15-16-28-24(18-19)20-8-2-5-13-26(20)38-28)34-29(22-10-3-6-14-27(22)39-34)30-23-11-7-17-36-35(23)40-33(30)31;1-2-9-21(10-3-1)22-16-18-23(19-17-22)37-27-14-6-4-11-24(27)31-32(37)34-29(25-12-5-7-15-28(25)38-34)30-26-13-8-20-36-35(26)39-33(30)31/h1-22H;1-24H;2*1-18H;1-20H.
What are the key properties of 18-dibenzothiophen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-dibenzothiophen-4-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(3,5-diphenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(4-phenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-triphenylen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene?
18-dibenzothiophen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-dibenzothiophen-4-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(3,5-diphenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(4-phenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-triphenylen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene has a molecular weight of 2873.75 g/mol, XLogP of 57.77, 8 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 18-dibenzothiophen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-dibenzothiophen-4-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(3,5-diphenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-(4-phenylphenyl)-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene;18-triphenylen-2-yl-9,21-dithia-7,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,22,24,26-dodecaene is sourced from PubChem (CID 158065253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).