About [3-(diethylamino)-6-[[4-(diethylamino)benzene-6-id-1-yl]-hexylazaniumylidene]cyclohexa-2,4-dien-1-ylidene]osmium
[3-(diethylamino)-6-[[4-(diethylamino)benzene-6-id-1-yl]-hexylazaniumylidene]cyclohexa-2,4-dien-1-ylidene]osmium (PubChem CID 169187703) has the molecular formula C26H39N3Os
and a molecular weight of 583.85 g/mol. Its IUPAC name is [3-(diethylamino)-6-[[4-(diethylamino)benzene-6-id-1-yl]-hexylazaniumylidene]cyclohexa-2,4-dien-1-ylidene]osmium.
Molecular Properties
| Compound Name | [3-(diethylamino)-6-[[4-(diethylamino)benzene-6-id-1-yl]-hexylazaniumylidene]cyclohexa-2,4-dien-1-ylidene]osmium |
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| PubChem CID | 169187703 |
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| Molecular Formula | C26H39N3Os |
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| Molecular Weight | 583.85 g/mol |
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| Exact Mass | 585.28 |
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| IUPAC Name | [3-(diethylamino)-6-[[4-(diethylamino)benzene-6-id-1-yl]-hexylazaniumylidene]cyclohexa-2,4-dien-1-ylidene]osmium |
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| SMILES | CCCCCC/[N+](=C1\C=CC(N(CC)CC)=CC1=[Os])c1[c-]cc(N(CC)CC)cc1 |
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| InChI | InChI=1S/C26H39N3.Os/c1-6-11-12-13-22-29(25-18-14-23(15-19-25)27(7-2)8-3)26-20-16-24(17-21-26)28(9-4)10-5;/h14-18,20H,6-13,22H2,1-5H3;/b29-25-; |
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| InChIKey | WBVVBPYWZAFLMB-PKPTZPFZSA-N |
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| XLogP | 5.51 |
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| TPSA | 9.49 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 30 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 583.85 |
| LogP ≤ 5 | 5.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [3-(diethylamino)-6-[[4-(diethylamino)benzene-6-id-1-yl]-hexylazaniumylidene]cyclohexa-2,4-dien-1-ylidene]osmium?
The IUPAC name of [3-(diethylamino)-6-[[4-(diethylamino)benzene-6-id-1-yl]-hexylazaniumylidene]cyclohexa-2,4-dien-1-ylidene]osmium (CID 169187703) is [3-(diethylamino)-6-[[4-(diethylamino)benzene-6-id-1-yl]-hexylazaniumylidene]cyclohexa-2,4-dien-1-ylidene]osmium.
What is the SMILES notation for [3-(diethylamino)-6-[[4-(diethylamino)benzene-6-id-1-yl]-hexylazaniumylidene]cyclohexa-2,4-dien-1-ylidene]osmium?
The canonical SMILES for [3-(diethylamino)-6-[[4-(diethylamino)benzene-6-id-1-yl]-hexylazaniumylidene]cyclohexa-2,4-dien-1-ylidene]osmium is CCCCCC/[N+](=C1\C=CC(N(CC)CC)=CC1=[Os])c1[c-]cc(N(CC)CC)cc1.
What is the InChIKey of [3-(diethylamino)-6-[[4-(diethylamino)benzene-6-id-1-yl]-hexylazaniumylidene]cyclohexa-2,4-dien-1-ylidene]osmium?
The InChIKey is WBVVBPYWZAFLMB-PKPTZPFZSA-N. The full InChI is InChI=1S/C26H39N3.Os/c1-6-11-12-13-22-29(25-18-14-23(15-19-25)27(7-2)8-3)26-20-16-24(17-21-26)28(9-4)10-5;/h14-18,20H,6-13,22H2,1-5H3;/b29-25-;.
What are the key properties of [3-(diethylamino)-6-[[4-(diethylamino)benzene-6-id-1-yl]-hexylazaniumylidene]cyclohexa-2,4-dien-1-ylidene]osmium?
[3-(diethylamino)-6-[[4-(diethylamino)benzene-6-id-1-yl]-hexylazaniumylidene]cyclohexa-2,4-dien-1-ylidene]osmium has a molecular weight of 583.85 g/mol, XLogP of 5.51, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylamino)-6-[[4-(diethylamino)benzene-6-id-1-yl]-hexylazaniumylidene]cyclohexa-2,4-dien-1-ylidene]osmium is sourced from PubChem (CID 169187703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).