About 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene)
1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene) (PubChem CID 158090471) has the molecular formula C104H88
and a molecular weight of 1337.85 g/mol. Its IUPAC name is 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene).
Molecular Properties
| Compound Name | 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene) |
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| PubChem CID | 158090471 |
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| Molecular Formula | C104H88 |
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| Molecular Weight | 1337.85 g/mol |
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| Exact Mass | 1336.69 |
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| IUPAC Name | 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene) |
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| SMILES | C.C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C=C(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1.CC=C(c1ccccc1)c1ccccc1.CC=C(c1ccccc1)c1ccccc1.CC=C(c1ccccc1)c1ccccc1 |
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| InChI | InChI=1S/C58H42.3C15H14.CH4/c1-5-13-53(14-6-1)57(54-15-7-2-8-16-54)41-43-21-25-45(26-22-43)47-29-33-49(34-30-47)51-37-39-52(40-38-51)50-35-31-48(32-36-50)46-27-23-44(24-28-46)42-58(55-17-9-3-10-18-55)56-19-11-4-12-20-56;3*1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h1-42H;3*2-12H,1H3;1H4 |
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| InChIKey | FOAQJSOHJCIBKB-UHFFFAOYSA-N |
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| XLogP | 28.58 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 16 |
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| Heavy Atoms | 104 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1337.85 |
| LogP ≤ 5 | 28.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene)?
The IUPAC name of 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene) (CID 158090471) is 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene).
What is the SMILES notation for 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene)?
The canonical SMILES for 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene) is C.C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C=C(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1.CC=C(c1ccccc1)c1ccccc1.CC=C(c1ccccc1)c1ccccc1.CC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene)?
The InChIKey is FOAQJSOHJCIBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42.3C15H14.CH4/c1-5-13-53(14-6-1)57(54-15-7-2-8-16-54)41-43-21-25-45(26-22-43)47-29-33-49(34-30-47)51-37-39-52(40-38-51)50-35-31-48(32-36-50)46-27-23-44(24-28-46)42-58(55-17-9-3-10-18-55)56-19-11-4-12-20-56;3*1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h1-42H;3*2-12H,1H3;1H4.
What are the key properties of 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene)?
1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene) has a molecular weight of 1337.85 g/mol, XLogP of 28.58, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene) is sourced from PubChem (CID 158090471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).