C266H206S2 — CID 157096227
2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;1,2-bis[(E)-2-(4-methylphenyl)ethenyl]benzene;1,3-bis[(E)-2-(4-methylphenyl)ethenyl]benzene;1,4-bis[(E)-2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethenyl]benzene;1,2-bis[(E)-2-phenylethenyl]benzene;1,3-bis[(E)-2-phenylethenyl]benzene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene;2-methyl-6-[(E)-2-[4-[(E)-2-(7-methylnaphthalen-2-yl)ethenyl]phenyl]ethenyl]naphthalene;2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene (PubChem CID 157096227) has the molecular formula C266H206S2 and a molecular weight of 3466.71 g/mol. Its IUPAC name is 2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;1,2-bis[(E)-2-(4-methylphenyl)ethenyl]benzene;1,3-bis[(E)-2-(4-methylphenyl)ethenyl]benzene;1,4-bis[(E)-2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethenyl]benzene;1,2-bis[(E)-2-phenylethenyl]benzene;1,3-bis[(E)-2-phenylethenyl]benzene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene;2-methyl-6-[(E)-2-[4-[(E)-2-(7-methylnaphthalen-2-yl)ethenyl]phenyl]ethenyl]naphthalene;2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene.
| Compound Name | 2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;1,2-bis[(E)-2-(4-methylphenyl)ethenyl]benzene;1,3-bis[(E)-2-(4-methylphenyl)ethenyl]benzene;1,4-bis[(E)-2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethenyl]benzene;1,2-bis[(E)-2-phenylethenyl]benzene;1,3-bis[(E)-2-phenylethenyl]benzene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene;2-methyl-6-[(E)-2-[4-[(E)-2-(7-methylnaphthalen-2-yl)ethenyl]phenyl]ethenyl]naphthalene;2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene |
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| PubChem CID | 157096227 |
| Molecular Formula | C266H206S2 |
| Molecular Weight | 3466.71 g/mol |
| Exact Mass | 3463.56 |
| IUPAC Name | 2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;1,2-bis[(E)-2-(4-methylphenyl)ethenyl]benzene;1,3-bis[(E)-2-(4-methylphenyl)ethenyl]benzene;1,4-bis[(E)-2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethenyl]benzene;1,2-bis[(E)-2-phenylethenyl]benzene;1,3-bis[(E)-2-phenylethenyl]benzene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene;2-methyl-6-[(E)-2-[4-[(E)-2-(7-methylnaphthalen-2-yl)ethenyl]phenyl]ethenyl]naphthalene;2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene |
| SMILES | C(=C/c1ccc2cc3ccccc3cc2c1)\c1ccc(/C=C/c2ccc3cc4ccccc4cc3c2)cc1.C(=C/c1ccc2ccccc2c1)\c1ccc(/C=C/c2ccc3ccccc3c2)cc1.C(=C/c1ccc2sc3ccccc3c2c1)\c1ccc(/C=C/c2ccc3sc4ccccc4c3c2)cc1.C(=C/c1cccc(/C=C/c2ccccc2)c1)\c1ccccc1.C(=C/c1ccccc1/C=C/c1ccccc1)\c1ccccc1.Cc1ccc(/C=C/c2cccc(/C=C/c3ccc(C)cc3)c2)cc1.Cc1ccc(/C=C/c2ccccc2/C=C/c2ccc(C)cc2)cc1.Cc1ccc(C#Cc2ccc(/C=C/c3ccc(/C=C/c4ccc(C#Cc5ccc(C)cc5)cc4)cc3)cc2)cc1.Cc1ccc2cc(/C=C/c3ccc(/C=C/c4ccc5ccc(C)cc5c4)cc3)ccc2c1 |
| InChI | InChI=1S/C40H30.C38H26.C34H22S2.C32H26.C30H22.2C24H22.2C22H18/c1-31-3-7-33(8-4-31)11-13-35-15-19-37(20-16-35)23-25-39-27-29-40(30-28-39)26-24-38-21-17-36(18-22-38)14-12-34-9-5-32(2)6-10-34;1-3-7-33-25-37-21-29(17-19-35(37)23-31(33)5-1)15-13-27-9-11-28(12-10-27)14-16-30-18-20-36-24-32-6-2-4-8-34(32)26-38(36)22-30;1-3-7-31-27(5-1)29-21-25(17-19-33(29)35-31)15-13-23-9-11-24(12-10-23)14-16-26-18-20-34-30(22-26)28-6-2-4-8-32(28)36-34;1-23-4-16-31-21-27(14-18-30(31)19-23)11-9-25-5-7-26(8-6-25)10-12-28-13-17-29-15-3-24(2)20-32(29)22-28;1-3-7-29-21-25(17-19-27(29)5-1)15-13-23-9-11-24(12-10-23)14-16-26-18-20-28-6-2-4-8-30(28)22-26;1-19-6-10-21(11-7-19)14-16-23-4-3-5-24(18-23)17-15-22-12-8-20(2)9-13-22;1-19-7-11-21(12-8-19)15-17-23-5-3-4-6-24(23)18-16-22-13-9-20(2)10-14-22;1-3-9-19(10-4-1)15-17-21-13-7-8-14-22(21)18-16-20-11-5-2-6-12-20;1-3-8-19(9-4-1)14-16-21-12-7-13-22(18-21)17-15-20-10-5-2-6-11-20/h3-10,15-30H,1-2H3;1-26H;1-22H;3-22H,1-2H3;1-22H;2*3-18H,1-2H3;2*1-18H/b25-23+,26-24+;2*15-13+,16-14+;11-9+,12-10+;15-13+,16-14+;16-14+,17-15+;2*17-15+,18-16+;16-14+,17-15+ |
| InChIKey | AFFVQDFMGGLLOD-STNSKGKDSA-N |
| XLogP | 73.47 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 268 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3466.71 |
| LogP ≤ 5 | 73.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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