18-(9,9-dimethylfluoren-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18,21-diphenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene

C225H136N12O5 — CID 159011454

IUPAC18-(9,9-dimethylfluoren-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18,21-diphenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5c5c6ccccc6n(-c6ccccc6)c5c43)cc21.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5oc6ccccc6c5c5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5oc4c4c5ccccc5n(-c5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5oc4c4c5ccccc5n(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4c4c5ccccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C52H30N2O.C46H28N4O.C46H26N2O.C45H30N2O.C36H22N2O/c1-2-13-32(14-3-1)53-43-22-9-6-17-40(43)47-48-42-19-8-11-24-45(42)55-52(48)49-41-18-7-10-23-44(41)54(51(49)50(47)53)33-27-25-31(26-28-33)34-29-30-39-36-16-5-4-15-35(36)38-21-12-20-37(34)46(38)39;1-4-16-29(17-5-1)35-28-36(30-18-6-2-7-19-30)48-46(47-35)50-38-26-14-11-23-33(38)42-44(50)43-40(41-34-24-12-15-27-39(34)51-45(41)42)32-22-10-13-25-37(32)49(43)31-20-8-3-9-21-31;1-2-13-27(14-3-1)47-36-22-9-6-17-33(36)41-42-35-19-8-11-24-39(35)49-46(42)43-34-18-7-10-23-37(34)48(45(43)44(41)47)38-26-25-31-29-16-5-4-15-28(29)30-20-12-21-32(38)40(30)31;1-45(2)34-20-10-6-16-29(34)30-25-24-28(26-35(30)45)47-37-22-12-8-18-32(37)41-43(47)42-39(40-33-19-9-13-23-38(33)48-44(40)41)31-17-7-11-21-36(31)46(42)27-14-4-3-5-15-27;1-3-13-23(14-4-1)37-28-20-10-7-17-25(28)31-32-27-19-9-12-22-30(27)39-36(32)33-26-18-8-11-21-29(26)38(35(33)34(31)37)24-15-5-2-6-16-24/h1-30H;1-28H;1-26H;3-26H,1-2H3;1-22H
InChIKeyJSNRYWGDOYALLB-UHFFFAOYSA-N
MW3087.64 g/mol
LogP60.60
Rot. Bonds13

About 18-(9,9-dimethylfluoren-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18,21-diphenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene

18-(9,9-dimethylfluoren-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18,21-diphenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (PubChem CID 159011454) has the molecular formula C225H136N12O5 and a molecular weight of 3087.64 g/mol. Its IUPAC name is 18-(9,9-dimethylfluoren-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18,21-diphenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.

Molecular Properties

Compound Name18-(9,9-dimethylfluoren-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18,21-diphenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
PubChem CID159011454
Molecular FormulaC225H136N12O5
Molecular Weight3087.64 g/mol
Exact Mass3085.08
IUPAC Name18-(9,9-dimethylfluoren-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18,21-diphenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5c5c6ccccc6n(-c6ccccc6)c5c43)cc21.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5oc6ccccc6c5c5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5oc4c4c5ccccc5n(-c5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5oc4c4c5ccccc5n(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4c4c5ccccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C52H30N2O.C46H28N4O.C46H26N2O.C45H30N2O.C36H22N2O/c1-2-13-32(14-3-1)53-43-22-9-6-17-40(43)47-48-42-19-8-11-24-45(42)55-52(48)49-41-18-7-10-23-44(41)54(51(49)50(47)53)33-27-25-31(26-28-33)34-29-30-39-36-16-5-4-15-35(36)38-21-12-20-37(34)46(38)39;1-4-16-29(17-5-1)35-28-36(30-18-6-2-7-19-30)48-46(47-35)50-38-26-14-11-23-33(38)42-44(50)43-40(41-34-24-12-15-27-39(34)51-45(41)42)32-22-10-13-25-37(32)49(43)31-20-8-3-9-21-31;1-2-13-27(14-3-1)47-36-22-9-6-17-33(36)41-42-35-19-8-11-24-39(35)49-46(42)43-34-18-7-10-23-37(34)48(45(43)44(41)47)38-26-25-31-29-16-5-4-15-28(29)30-20-12-21-32(38)40(30)31;1-45(2)34-20-10-6-16-29(34)30-25-24-28(26-35(30)45)47-37-22-12-8-18-32(37)41-43(47)42-39(40-33-19-9-13-23-38(33)48-44(40)41)31-17-7-11-21-36(31)46(42)27-14-4-3-5-15-27;1-3-13-23(14-4-1)37-28-20-10-7-17-25(28)31-32-27-19-9-12-22-30(27)39-36(32)33-26-18-8-11-21-29(26)38(35(33)34(31)37)24-15-5-2-6-16-24/h1-30H;1-28H;1-26H;3-26H,1-2H3;1-22H
InChIKeyJSNRYWGDOYALLB-UHFFFAOYSA-N
XLogP60.60
TPSA140.78 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms242
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003087.64
LogP ≤ 560.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 18-(9,9-dimethylfluoren-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18,21-diphenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-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-(9,9-dimethylfluoren-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18,21-diphenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?
The IUPAC name of 18-(9,9-dimethylfluoren-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18,21-diphenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (CID 159011454) is 18-(9,9-dimethylfluoren-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18,21-diphenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.
What is the SMILES notation for 18-(9,9-dimethylfluoren-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18,21-diphenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?
The canonical SMILES for 18-(9,9-dimethylfluoren-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18,21-diphenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5c5c6ccccc6n(-c6ccccc6)c5c43)cc21.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5oc6ccccc6c5c5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5oc4c4c5ccccc5n(-c5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5oc4c4c5ccccc5n(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4c4c5ccccc5n(-c5ccccc5)c4c32)cc1.
What is the InChIKey of 18-(9,9-dimethylfluoren-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18,21-diphenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?
The InChIKey is JSNRYWGDOYALLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N2O.C46H28N4O.C46H26N2O.C45H30N2O.C36H22N2O/c1-2-13-32(14-3-1)53-43-22-9-6-17-40(43)47-48-42-19-8-11-24-45(42)55-52(48)49-41-18-7-10-23-44(41)54(51(49)50(47)53)33-27-25-31(26-28-33)34-29-30-39-36-16-5-4-15-35(36)38-21-12-20-37(34)46(38)39;1-4-16-29(17-5-1)35-28-36(30-18-6-2-7-19-30)48-46(47-35)50-38-26-14-11-23-33(38)42-44(50)43-40(41-34-24-12-15-27-39(34)51-45(41)42)32-22-10-13-25-37(32)49(43)31-20-8-3-9-21-31;1-2-13-27(14-3-1)47-36-22-9-6-17-33(36)41-42-35-19-8-11-24-39(35)49-46(42)43-34-18-7-10-23-37(34)48(45(43)44(41)47)38-26-25-31-29-16-5-4-15-28(29)30-20-12-21-32(38)40(30)31;1-45(2)34-20-10-6-16-29(34)30-25-24-28(26-35(30)45)47-37-22-12-8-18-32(37)41-43(47)42-39(40-33-19-9-13-23-38(33)48-44(40)41)31-17-7-11-21-36(31)46(42)27-14-4-3-5-15-27;1-3-13-23(14-4-1)37-28-20-10-7-17-25(28)31-32-27-19-9-12-22-30(27)39-36(32)33-26-18-8-11-21-29(26)38(35(33)34(31)37)24-15-5-2-6-16-24/h1-30H;1-28H;1-26H;3-26H,1-2H3;1-22H.
What are the key properties of 18-(9,9-dimethylfluoren-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18,21-diphenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?
18-(9,9-dimethylfluoren-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18,21-diphenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene has a molecular weight of 3087.64 g/mol, XLogP of 60.60, 13 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(9,9-dimethylfluoren-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18,21-diphenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is sourced from PubChem (CID 159011454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).