9,10-bis(2,2-diphenylethenyl)anthracene;2,5-bis(2,2-diphenylethenyl)thiophene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyrazine;3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;ethane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;spiro[18,25-diaza-7-azonianonacyclo[14.13.2.22,5.03,12.04,9.013,30.017,25.019,24.027,31]tritriaconta-1(29),2,4,9,11,13(30),14,16(31),17,19,21,23,27,32-tetradecaene-7,1'-benzimidazol-1-ium]-8,26-dione;6,17,19-trioxo-7,18-diphenyl-18-aza-7-azoniaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaene-7-carbaldehyde;1,4,4-triphenylbuta-1,3-dienylbenzene
C256H178N10O7S+2 — CID 157213926
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC9,10-bis(2,2-diphenylethenyl)anthracene;2,5-bis(2,2-diphenylethenyl)thiophene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyrazine;3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;ethane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;spiro[18,25-diaza-7-azonianonacyclo[14.13.2.22,5.03,12.04,9.013,30.017,25.019,24.027,31]tritriaconta-1(29),2,4,9,11,13(30),14,16(31),17,19,21,23,27,32-tetradecaene-7,1'-benzimidazol-1-ium]-8,26-dione;6,17,19-trioxo-7,18-diphenyl-18-aza-7-azoniaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaene-7-carbaldehyde;1,4,4-triphenylbuta-1,3-dienylbenzene
SMILESC(=C(c1ccccc1)c1ccccc1)c1c2ccccc2c(C=C(c2ccccc2)c2ccccc2)c2ccccc12.C(=C(c1ccccc1)c1ccccc1)c1ccc(C=C(c2ccccc2)c2ccccc2)s1.C(=Cc1ccc(-c2ccc(C=Cc3ccccc3)cc2)cc1)c1ccccc1.C(=Cc1cnc(C=Cc2ccc(-c3ccccc3)cc2)cn1)c1ccc(-c2ccccc2)cc1.C(C=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1.CC.O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c73)C[N+]12C=Nc1ccccc12)c46)c(=O)n1c2ccccc2nc51.O=C[N+]1(c2ccccc2)Cc2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccccc1)C5=O.O=c1c2cccc3cccc(c32)c2nc3ccccc3n12
InChIInChI=1S/C42H30.C37H19N4O2.C37H21N2O4.C32H24N2.C32H24S.2C28H22.C18H10N2O.C2H6/c1-5-17-31(18-6-1)39(32-19-7-2-8-20-32)29-41-35-25-13-15-27-37(35)42(38-28-16-14-26-36(38)41)30-40(33-21-9-3-10-22-33)34-23-11-4-12-24-34;42-36-25-15-12-23-20-10-9-19-17-41(18-38-28-6-2-4-8-30(28)41)37(43)26-16-13-21(32(20)31(19)26)22-11-14-24(34(25)33(22)23)35-39-27-5-1-3-7-29(27)40(35)36;40-20-39(23-9-5-2-6-10-23)19-21-11-12-24-26-13-16-28-34-29(36(42)38(35(28)41)22-7-3-1-4-8-22)17-14-27(33(26)34)25-15-18-30(37(39)43)31(21)32(24)25;1-3-7-27(8-4-1)29-17-11-25(12-18-29)15-21-31-23-34-32(24-33-31)22-16-26-13-19-30(20-14-26)28-9-5-2-6-10-28;1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)23-29-21-22-30(33-29)24-32(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3-7-23(8-4-1)11-13-25-15-19-27(20-16-25)28-21-17-26(18-22-28)14-12-24-9-5-2-6-10-24;21-18-13-8-4-6-11-5-3-7-12(16(11)13)17-19-14-9-1-2-10-15(14)20(17)18;1-2/h1-30H;1-16,18H,17H2;1-18,20H,19H2;1-24H;1-24H;2*1-22H;1-10H;1-2H3/q;2*+1;;;;;;
InChIKeySBAGWCHIFFFOBZ-UHFFFAOYSA-N
MW3538.37 g/mol
LogP62.99
Rot. Bonds31
About 9,10-bis(2,2-diphenylethenyl)anthracene;2,5-bis(2,2-diphenylethenyl)thiophene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyrazine;3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;ethane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;spiro[18,25-diaza-7-azonianonacyclo[14.13.2.22,5.03,12.04,9.013,30.017,25.019,24.027,31]tritriaconta-1(29),2,4,9,11,13(30),14,16(31),17,19,21,23,27,32-tetradecaene-7,1'-benzimidazol-1-ium]-8,26-dione;6,17,19-trioxo-7,18-diphenyl-18-aza-7-azoniaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaene-7-carbaldehyde;1,4,4-triphenylbuta-1,3-dienylbenzene
9,10-bis(2,2-diphenylethenyl)anthracene;2,5-bis(2,2-diphenylethenyl)thiophene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyrazine;3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;ethane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;spiro[18,25-diaza-7-azonianonacyclo[14.13.2.22,5.03,12.04,9.013,30.017,25.019,24.027,31]tritriaconta-1(29),2,4,9,11,13(30),14,16(31),17,19,21,23,27,32-tetradecaene-7,1'-benzimidazol-1-ium]-8,26-dione;6,17,19-trioxo-7,18-diphenyl-18-aza-7-azoniaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaene-7-carbaldehyde;1,4,4-triphenylbuta-1,3-dienylbenzene (PubChem CID 157213926) has the molecular formula C256H178N10O7S+2 and a molecular weight of 3538.37 g/mol. Its IUPAC name is 9,10-bis(2,2-diphenylethenyl)anthracene;2,5-bis(2,2-diphenylethenyl)thiophene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyrazine;3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;ethane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;spiro[18,25-diaza-7-azonianonacyclo[14.13.2.22,5.03,12.04,9.013,30.017,25.019,24.027,31]tritriaconta-1(29),2,4,9,11,13(30),14,16(31),17,19,21,23,27,32-tetradecaene-7,1'-benzimidazol-1-ium]-8,26-dione;6,17,19-trioxo-7,18-diphenyl-18-aza-7-azoniaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaene-7-carbaldehyde;1,4,4-triphenylbuta-1,3-dienylbenzene.
Molecular Properties
| Compound Name | 9,10-bis(2,2-diphenylethenyl)anthracene;2,5-bis(2,2-diphenylethenyl)thiophene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyrazine;3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;ethane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;spiro[18,25-diaza-7-azonianonacyclo[14.13.2.22,5.03,12.04,9.013,30.017,25.019,24.027,31]tritriaconta-1(29),2,4,9,11,13(30),14,16(31),17,19,21,23,27,32-tetradecaene-7,1'-benzimidazol-1-ium]-8,26-dione;6,17,19-trioxo-7,18-diphenyl-18-aza-7-azoniaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaene-7-carbaldehyde;1,4,4-triphenylbuta-1,3-dienylbenzene |
|---|---|
| PubChem CID | 157213926 |
| Molecular Formula | C256H178N10O7S+2 |
| Molecular Weight | 3538.37 g/mol |
| Exact Mass | 3535.36 |
| IUPAC Name | 9,10-bis(2,2-diphenylethenyl)anthracene;2,5-bis(2,2-diphenylethenyl)thiophene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyrazine;3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;ethane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;spiro[18,25-diaza-7-azonianonacyclo[14.13.2.22,5.03,12.04,9.013,30.017,25.019,24.027,31]tritriaconta-1(29),2,4,9,11,13(30),14,16(31),17,19,21,23,27,32-tetradecaene-7,1'-benzimidazol-1-ium]-8,26-dione;6,17,19-trioxo-7,18-diphenyl-18-aza-7-azoniaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaene-7-carbaldehyde;1,4,4-triphenylbuta-1,3-dienylbenzene |
| SMILES | C(=C(c1ccccc1)c1ccccc1)c1c2ccccc2c(C=C(c2ccccc2)c2ccccc2)c2ccccc12.C(=C(c1ccccc1)c1ccccc1)c1ccc(C=C(c2ccccc2)c2ccccc2)s1.C(=Cc1ccc(-c2ccc(C=Cc3ccccc3)cc2)cc1)c1ccccc1.C(=Cc1cnc(C=Cc2ccc(-c3ccccc3)cc2)cn1)c1ccc(-c2ccccc2)cc1.C(C=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1.CC.O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c73)C[N+]12C=Nc1ccccc12)c46)c(=O)n1c2ccccc2nc51.O=C[N+]1(c2ccccc2)Cc2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccccc1)C5=O.O=c1c2cccc3cccc(c32)c2nc3ccccc3n12 |
| InChI | InChI=1S/C42H30.C37H19N4O2.C37H21N2O4.C32H24N2.C32H24S.2C28H22.C18H10N2O.C2H6/c1-5-17-31(18-6-1)39(32-19-7-2-8-20-32)29-41-35-25-13-15-27-37(35)42(38-28-16-14-26-36(38)41)30-40(33-21-9-3-10-22-33)34-23-11-4-12-24-34;42-36-25-15-12-23-20-10-9-19-17-41(18-38-28-6-2-4-8-30(28)41)37(43)26-16-13-21(32(20)31(19)26)22-11-14-24(34(25)33(22)23)35-39-27-5-1-3-7-29(27)40(35)36;40-20-39(23-9-5-2-6-10-23)19-21-11-12-24-26-13-16-28-34-29(36(42)38(35(28)41)22-7-3-1-4-8-22)17-14-27(33(26)34)25-15-18-30(37(39)43)31(21)32(24)25;1-3-7-27(8-4-1)29-17-11-25(12-18-29)15-21-31-23-34-32(24-33-31)22-16-26-13-19-30(20-14-26)28-9-5-2-6-10-28;1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)23-29-21-22-30(33-29)24-32(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3-7-23(8-4-1)11-13-25-15-19-27(20-16-25)28-21-17-26(18-22-28)14-12-24-9-5-2-6-10-24;21-18-13-8-4-6-11-5-3-7-12(16(11)13)17-19-14-9-1-2-10-15(14)20(17)18;1-2/h1-30H;1-16,18H,17H2;1-18,20H,19H2;1-24H;1-24H;2*1-22H;1-10H;1-2H3/q;2*+1;;;;;; |
| InChIKey | SBAGWCHIFFFOBZ-UHFFFAOYSA-N |
| XLogP | 62.99 |
| TPSA | 195.47 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 274 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3538.37 |
| LogP ≤ 5 | 62.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 9,10-bis(2,2-diphenylethenyl)anthracene;2,5-bis(2,2-diphenylethenyl)thiophene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyrazine;3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;ethane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;spiro[18,25-diaza-7-azonianonacyclo[14.13.2.22,5.03,12.04,9.013,30.017,25.019,24.027,31]tritriaconta-1(29),2,4,9,11,13(30),14,16(31),17,19,21,23,27,32-tetradecaene-7,1'-benzimidazol-1-ium]-8,26-dione;6,17,19-trioxo-7,18-diphenyl-18-aza-7-azoniaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaene-7-carbaldehyde;1,4,4-triphenylbuta-1,3-dienylbenzene?
The IUPAC name of 9,10-bis(2,2-diphenylethenyl)anthracene;2,5-bis(2,2-diphenylethenyl)thiophene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyrazine;3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;ethane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;spiro[18,25-diaza-7-azonianonacyclo[14.13.2.22,5.03,12.04,9.013,30.017,25.019,24.027,31]tritriaconta-1(29),2,4,9,11,13(30),14,16(31),17,19,21,23,27,32-tetradecaene-7,1'-benzimidazol-1-ium]-8,26-dione;6,17,19-trioxo-7,18-diphenyl-18-aza-7-azoniaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaene-7-carbaldehyde;1,4,4-triphenylbuta-1,3-dienylbenzene (CID 157213926) is 9,10-bis(2,2-diphenylethenyl)anthracene;2,5-bis(2,2-diphenylethenyl)thiophene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyrazine;3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;ethane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;spiro[18,25-diaza-7-azonianonacyclo[14.13.2.22,5.03,12.04,9.013,30.017,25.019,24.027,31]tritriaconta-1(29),2,4,9,11,13(30),14,16(31),17,19,21,23,27,32-tetradecaene-7,1'-benzimidazol-1-ium]-8,26-dione;6,17,19-trioxo-7,18-diphenyl-18-aza-7-azoniaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaene-7-carbaldehyde;1,4,4-triphenylbuta-1,3-dienylbenzene.
What is the SMILES notation for 9,10-bis(2,2-diphenylethenyl)anthracene;2,5-bis(2,2-diphenylethenyl)thiophene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyrazine;3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;ethane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;spiro[18,25-diaza-7-azonianonacyclo[14.13.2.22,5.03,12.04,9.013,30.017,25.019,24.027,31]tritriaconta-1(29),2,4,9,11,13(30),14,16(31),17,19,21,23,27,32-tetradecaene-7,1'-benzimidazol-1-ium]-8,26-dione;6,17,19-trioxo-7,18-diphenyl-18-aza-7-azoniaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaene-7-carbaldehyde;1,4,4-triphenylbuta-1,3-dienylbenzene?
The canonical SMILES for 9,10-bis(2,2-diphenylethenyl)anthracene;2,5-bis(2,2-diphenylethenyl)thiophene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyrazine;3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;ethane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;spiro[18,25-diaza-7-azonianonacyclo[14.13.2.22,5.03,12.04,9.013,30.017,25.019,24.027,31]tritriaconta-1(29),2,4,9,11,13(30),14,16(31),17,19,21,23,27,32-tetradecaene-7,1'-benzimidazol-1-ium]-8,26-dione;6,17,19-trioxo-7,18-diphenyl-18-aza-7-azoniaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaene-7-carbaldehyde;1,4,4-triphenylbuta-1,3-dienylbenzene is C(=C(c1ccccc1)c1ccccc1)c1c2ccccc2c(C=C(c2ccccc2)c2ccccc2)c2ccccc12.C(=C(c1ccccc1)c1ccccc1)c1ccc(C=C(c2ccccc2)c2ccccc2)s1.C(=Cc1ccc(-c2ccc(C=Cc3ccccc3)cc2)cc1)c1ccccc1.C(=Cc1cnc(C=Cc2ccc(-c3ccccc3)cc2)cn1)c1ccc(-c2ccccc2)cc1.C(C=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1.CC.O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c73)C[N+]12C=Nc1ccccc12)c46)c(=O)n1c2ccccc2nc51.O=C[N+]1(c2ccccc2)Cc2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccccc1)C5=O.O=c1c2cccc3cccc(c32)c2nc3ccccc3n12.
What is the InChIKey of 9,10-bis(2,2-diphenylethenyl)anthracene;2,5-bis(2,2-diphenylethenyl)thiophene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyrazine;3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;ethane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;spiro[18,25-diaza-7-azonianonacyclo[14.13.2.22,5.03,12.04,9.013,30.017,25.019,24.027,31]tritriaconta-1(29),2,4,9,11,13(30),14,16(31),17,19,21,23,27,32-tetradecaene-7,1'-benzimidazol-1-ium]-8,26-dione;6,17,19-trioxo-7,18-diphenyl-18-aza-7-azoniaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaene-7-carbaldehyde;1,4,4-triphenylbuta-1,3-dienylbenzene?
The InChIKey is SBAGWCHIFFFOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30.C37H19N4O2.C37H21N2O4.C32H24N2.C32H24S.2C28H22.C18H10N2O.C2H6/c1-5-17-31(18-6-1)39(32-19-7-2-8-20-32)29-41-35-25-13-15-27-37(35)42(38-28-16-14-26-36(38)41)30-40(33-21-9-3-10-22-33)34-23-11-4-12-24-34;42-36-25-15-12-23-20-10-9-19-17-41(18-38-28-6-2-4-8-30(28)41)37(43)26-16-13-21(32(20)31(19)26)22-11-14-24(34(25)33(22)23)35-39-27-5-1-3-7-29(27)40(35)36;40-20-39(23-9-5-2-6-10-23)19-21-11-12-24-26-13-16-28-34-29(36(42)38(35(28)41)22-7-3-1-4-8-22)17-14-27(33(26)34)25-15-18-30(37(39)43)31(21)32(24)25;1-3-7-27(8-4-1)29-17-11-25(12-18-29)15-21-31-23-34-32(24-33-31)22-16-26-13-19-30(20-14-26)28-9-5-2-6-10-28;1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)23-29-21-22-30(33-29)24-32(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3-7-23(8-4-1)11-13-25-15-19-27(20-16-25)28-21-17-26(18-22-28)14-12-24-9-5-2-6-10-24;21-18-13-8-4-6-11-5-3-7-12(16(11)13)17-19-14-9-1-2-10-15(14)20(17)18;1-2/h1-30H;1-16,18H,17H2;1-18,20H,19H2;1-24H;1-24H;2*1-22H;1-10H;1-2H3/q;2*+1;;;;;;.
What are the key properties of 9,10-bis(2,2-diphenylethenyl)anthracene;2,5-bis(2,2-diphenylethenyl)thiophene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyrazine;3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;ethane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;spiro[18,25-diaza-7-azonianonacyclo[14.13.2.22,5.03,12.04,9.013,30.017,25.019,24.027,31]tritriaconta-1(29),2,4,9,11,13(30),14,16(31),17,19,21,23,27,32-tetradecaene-7,1'-benzimidazol-1-ium]-8,26-dione;6,17,19-trioxo-7,18-diphenyl-18-aza-7-azoniaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaene-7-carbaldehyde;1,4,4-triphenylbuta-1,3-dienylbenzene?
9,10-bis(2,2-diphenylethenyl)anthracene;2,5-bis(2,2-diphenylethenyl)thiophene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyrazine;3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;ethane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;spiro[18,25-diaza-7-azonianonacyclo[14.13.2.22,5.03,12.04,9.013,30.017,25.019,24.027,31]tritriaconta-1(29),2,4,9,11,13(30),14,16(31),17,19,21,23,27,32-tetradecaene-7,1'-benzimidazol-1-ium]-8,26-dione;6,17,19-trioxo-7,18-diphenyl-18-aza-7-azoniaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaene-7-carbaldehyde;1,4,4-triphenylbuta-1,3-dienylbenzene has a molecular weight of 3538.37 g/mol, XLogP of 62.99, 31 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(2,2-diphenylethenyl)anthracene;2,5-bis(2,2-diphenylethenyl)thiophene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyrazine;3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;ethane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;spiro[18,25-diaza-7-azonianonacyclo[14.13.2.22,5.03,12.04,9.013,30.017,25.019,24.027,31]tritriaconta-1(29),2,4,9,11,13(30),14,16(31),17,19,21,23,27,32-tetradecaene-7,1'-benzimidazol-1-ium]-8,26-dione;6,17,19-trioxo-7,18-diphenyl-18-aza-7-azoniaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaene-7-carbaldehyde;1,4,4-triphenylbuta-1,3-dienylbenzene is sourced from PubChem (CID 157213926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157213926 — identifiers, structure, computed properties (public domain)
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