23-dibenzofuran-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;17-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene

C190H110N10OS4 — CID 157318535

IUPAC23-dibenzofuran-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;17-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene
SMILESc1ccc2c(c1)-c1ccccc1-c1c(cccc1-c1cccc3c1sc1ccccc13)-c1c-2ccc2nccnc12.c1ccc2c(c1)-c1ccccc1-c1ccc3ncc(-c4cccc5c4oc4ccccc45)nc3c1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc3nccnc3c1-c1c-2cccc1-c1cccc2c1sc1ccccc12.c1ccc2c(c1)-c1ccccc1-c1ccc3nccnc3c1-c1cc(-c3cccc4c3sc3ccccc34)ccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc3nccnc3c1-c1ccc(-c3cccc4c3sc3ccccc34)cc1-2
InChIInChI=1S/C38H22N2O.4C38H22N2S/c1-2-11-24-23(10-1)25-12-3-4-14-27(25)30-20-21-33-37(36(30)29-16-6-5-13-26(24)29)40-34(22-39-33)32-18-9-17-31-28-15-7-8-19-35(28)41-38(31)32;1-3-11-25-23(9-1)24-10-2-4-12-26(24)30-19-20-33-37(40-22-21-39-33)36(30)35-28(25)14-7-15-29(35)32-17-8-16-31-27-13-5-6-18-34(27)41-38(31)32;1-3-10-27-25(8-1)26-9-2-4-11-28(26)33-22-23(24-13-7-14-32-29-12-5-6-15-35(29)41-38(24)32)16-17-31(33)36-30(27)18-19-34-37(36)40-21-20-39-34;1-2-11-25-23(9-1)24-10-3-4-13-27(24)35-28(31-16-8-15-30-26-12-5-6-18-34(26)41-38(30)31)14-7-17-32(35)36-29(25)19-20-33-37(36)40-22-21-39-33;1-2-10-27-25(8-1)26-9-3-4-11-28(26)31-18-19-34-37(40-21-20-39-34)36(31)33-22-23(16-17-29(27)33)24-13-7-14-32-30-12-5-6-15-35(30)41-38(24)32/h5*1-22H/b25-23-,26-24-,30-27-,36-29+;24-23-,28-25-,30-26-,36-35-;26-25-,30-27-,33-28-,36-31+;24-23-,29-25-,35-27-,36-32+;26-25-,29-27-,31-28-,36-33+
InChIKeyBDWVHUNDHJCDCF-ZYHWSSSRSA-N
MW2677.31 g/mol
LogP52.76
Rot. Bonds5

About 23-dibenzofuran-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;17-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene

23-dibenzofuran-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;17-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene (PubChem CID 157318535) has the molecular formula C190H110N10OS4 and a molecular weight of 2677.31 g/mol. Its IUPAC name is 23-dibenzofuran-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;17-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene.

Molecular Properties

Compound Name23-dibenzofuran-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;17-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene
PubChem CID157318535
Molecular FormulaC190H110N10OS4
Molecular Weight2677.31 g/mol
Exact Mass2674.77
IUPAC Name23-dibenzofuran-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;17-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene
SMILESc1ccc2c(c1)-c1ccccc1-c1c(cccc1-c1cccc3c1sc1ccccc13)-c1c-2ccc2nccnc12.c1ccc2c(c1)-c1ccccc1-c1ccc3ncc(-c4cccc5c4oc4ccccc45)nc3c1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc3nccnc3c1-c1c-2cccc1-c1cccc2c1sc1ccccc12.c1ccc2c(c1)-c1ccccc1-c1ccc3nccnc3c1-c1cc(-c3cccc4c3sc3ccccc34)ccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc3nccnc3c1-c1ccc(-c3cccc4c3sc3ccccc34)cc1-2
InChIInChI=1S/C38H22N2O.4C38H22N2S/c1-2-11-24-23(10-1)25-12-3-4-14-27(25)30-20-21-33-37(36(30)29-16-6-5-13-26(24)29)40-34(22-39-33)32-18-9-17-31-28-15-7-8-19-35(28)41-38(31)32;1-3-11-25-23(9-1)24-10-2-4-12-26(24)30-19-20-33-37(40-22-21-39-33)36(30)35-28(25)14-7-15-29(35)32-17-8-16-31-27-13-5-6-18-34(27)41-38(31)32;1-3-10-27-25(8-1)26-9-2-4-11-28(26)33-22-23(24-13-7-14-32-29-12-5-6-15-35(29)41-38(24)32)16-17-31(33)36-30(27)18-19-34-37(36)40-21-20-39-34;1-2-11-25-23(9-1)24-10-3-4-13-27(24)35-28(31-16-8-15-30-26-12-5-6-18-34(26)41-38(30)31)14-7-17-32(35)36-29(25)19-20-33-37(36)40-22-21-39-33;1-2-10-27-25(8-1)26-9-3-4-11-28(26)31-18-19-34-37(40-21-20-39-34)36(31)33-22-23(16-17-29(27)33)24-13-7-14-32-30-12-5-6-15-35(30)41-38(24)32/h5*1-22H/b25-23-,26-24-,30-27-,36-29+;24-23-,28-25-,30-26-,36-35-;26-25-,30-27-,33-28-,36-31+;24-23-,29-25-,35-27-,36-32+;26-25-,29-27-,31-28-,36-33+
InChIKeyBDWVHUNDHJCDCF-ZYHWSSSRSA-N
XLogP52.76
TPSA142.04 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002677.31
LogP ≤ 552.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 23-dibenzofuran-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;17-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene with MolForge

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Related Compounds

3-dibenzothiophen-2-yl-8-[3-[(1E)-2-[4-(8-dibenzothiophen-4-yl-5,6-difluoro-1,10-phenanthrolin-3-yl)dibenzothiophen-2-yl]buta-1,3-dienyl]-2-methyl-1-benzofuran-5-yl]-5,6-difluoro-1,10-phenanthroline
CID 134446094
1-Bis(9,9-dimethylfluoren-2-yl)phosphoryltriphenylene;1-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene;2-[dibenzofuran-2-yl(triphenylen-1-yl)phosphoryl]dibenzofuran;2-[dibenzothiophen-2-yl(triphenylen-1-yl)phosphoryl]dibenzothiophene;2-[1,10-phenanthrolin-2-yl(triphenylen-1-yl)phosphoryl]-1,10-phenanthroline;9-phenyl-3-[(9-phenylcarbazol-3-yl)-triphenylen-1-ylphosphoryl]carbazole;2-pyridin-2-yl-6-[(2-pyridin-2-yl-4-pyridinyl)-triphenylen-1-ylphosphoryl]pyridine;2-[pyridin-2-yl(triphenylen-1-yl)phosphoryl]pyridine
CID 157288269
20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 160627340
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161901264
4-[6-[6-[12-(2-Pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 57958294
N-dibenzofuran-2-yl-N-[4-(6-dibenzothiophen-4-yl-3-pyridinyl)phenyl]quinolin-8-amine
CID 68230157
8-(1,10-Phenanthrolin-4-yl)-1-(2,4,5-trimethylthiophen-3-yl)-[1]benzofuro[3,2-c]pyridine
CID 71277937
N-(4-dibenzofuran-4-ylphenyl)-N-[6-[2-[(1Z,3Z)-penta-1,3-dienyl]-1-benzothiophen-5-yl]-3-pyridinyl]quinolin-8-amine
CID 88899026
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CID 89417085
7-(3-Dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
CID 89417103
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)quinolin-8-amine
CID 89531510
N-(4-dibenzofuran-4-ylphenyl)-N-(6-dibenzothiophen-2-yl-3-pyridinyl)quinolin-8-amine
CID 89531511

Frequently Asked Questions

What is the IUPAC name of 23-dibenzofuran-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;17-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene?
The IUPAC name of 23-dibenzofuran-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;17-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene (CID 157318535) is 23-dibenzofuran-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;17-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene.
What is the SMILES notation for 23-dibenzofuran-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;17-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene?
The canonical SMILES for 23-dibenzofuran-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;17-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene is c1ccc2c(c1)-c1ccccc1-c1c(cccc1-c1cccc3c1sc1ccccc13)-c1c-2ccc2nccnc12.c1ccc2c(c1)-c1ccccc1-c1ccc3ncc(-c4cccc5c4oc4ccccc45)nc3c1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc3nccnc3c1-c1c-2cccc1-c1cccc2c1sc1ccccc12.c1ccc2c(c1)-c1ccccc1-c1ccc3nccnc3c1-c1cc(-c3cccc4c3sc3ccccc34)ccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc3nccnc3c1-c1ccc(-c3cccc4c3sc3ccccc34)cc1-2.
What is the InChIKey of 23-dibenzofuran-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;17-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene?
The InChIKey is BDWVHUNDHJCDCF-ZYHWSSSRSA-N. The full InChI is InChI=1S/C38H22N2O.4C38H22N2S/c1-2-11-24-23(10-1)25-12-3-4-14-27(25)30-20-21-33-37(36(30)29-16-6-5-13-26(24)29)40-34(22-39-33)32-18-9-17-31-28-15-7-8-19-35(28)41-38(31)32;1-3-11-25-23(9-1)24-10-2-4-12-26(24)30-19-20-33-37(40-22-21-39-33)36(30)35-28(25)14-7-15-29(35)32-17-8-16-31-27-13-5-6-18-34(27)41-38(31)32;1-3-10-27-25(8-1)26-9-2-4-11-28(26)33-22-23(24-13-7-14-32-29-12-5-6-15-35(29)41-38(24)32)16-17-31(33)36-30(27)18-19-34-37(36)40-21-20-39-34;1-2-11-25-23(9-1)24-10-3-4-13-27(24)35-28(31-16-8-15-30-26-12-5-6-18-34(26)41-38(30)31)14-7-17-32(35)36-29(25)19-20-33-37(36)40-22-21-39-33;1-2-10-27-25(8-1)26-9-3-4-11-28(26)31-18-19-34-37(40-21-20-39-34)36(31)33-22-23(16-17-29(27)33)24-13-7-14-32-30-12-5-6-15-35(30)41-38(24)32/h5*1-22H/b25-23-,26-24-,30-27-,36-29+;24-23-,28-25-,30-26-,36-35-;26-25-,30-27-,33-28-,36-31+;24-23-,29-25-,35-27-,36-32+;26-25-,29-27-,31-28-,36-33+.
What are the key properties of 23-dibenzofuran-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;17-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene?
23-dibenzofuran-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;17-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene has a molecular weight of 2677.31 g/mol, XLogP of 52.76, 5 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 23-dibenzofuran-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;15-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27-tetradecaene;16-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;17-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene is sourced from PubChem (CID 157318535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).