dimethylazanide;oxolane;bis(1,2,3,4,5-pentamethylcyclopentane);tetraphenylboranuide;uranium

C50H74BNOU-2 — CID 23230264

IUPACdimethylazanide;oxolane;bis(1,2,3,4,5-pentamethylcyclopentane);tetraphenylboranuide;uranium
SMILESC1CCOC1.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.C[N-]C.[U].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.2C10H20.C4H8O.C2H6N.U/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-6-7(2)9(4)10(5)8(6)3;1-2-4-5-3-1;1-3-2;/h1-20H;2*6-10H,1-5H3;1-4H2;1-2H3;/q-1;;;;-1;
InChIKeyGNOBURRUVVGXCL-UHFFFAOYSA-N
MW953.99 g/mol
LogP10.84
Rot. Bonds4

About dimethylazanide;oxolane;bis(1,2,3,4,5-pentamethylcyclopentane);tetraphenylboranuide;uranium

dimethylazanide;oxolane;bis(1,2,3,4,5-pentamethylcyclopentane);tetraphenylboranuide;uranium (PubChem CID 23230264) has the molecular formula C50H74BNOU-2 and a molecular weight of 953.99 g/mol. Its IUPAC name is dimethylazanide;oxolane;bis(1,2,3,4,5-pentamethylcyclopentane);tetraphenylboranuide;uranium.

Molecular Properties

Compound Namedimethylazanide;oxolane;bis(1,2,3,4,5-pentamethylcyclopentane);tetraphenylboranuide;uranium
PubChem CID23230264
Molecular FormulaC50H74BNOU-2
Molecular Weight953.99 g/mol
Exact Mass953.64
IUPAC Namedimethylazanide;oxolane;bis(1,2,3,4,5-pentamethylcyclopentane);tetraphenylboranuide;uranium
SMILESC1CCOC1.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.C[N-]C.[U].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.2C10H20.C4H8O.C2H6N.U/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-6-7(2)9(4)10(5)8(6)3;1-2-4-5-3-1;1-3-2;/h1-20H;2*6-10H,1-5H3;1-4H2;1-2H3;/q-1;;;;-1;
InChIKeyGNOBURRUVVGXCL-UHFFFAOYSA-N
XLogP10.84
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.99
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylazanide;oxolane;bis(1,2,3,4,5-pentamethylcyclopentane);tetraphenylboranuide;uranium?
The IUPAC name of dimethylazanide;oxolane;bis(1,2,3,4,5-pentamethylcyclopentane);tetraphenylboranuide;uranium (CID 23230264) is dimethylazanide;oxolane;bis(1,2,3,4,5-pentamethylcyclopentane);tetraphenylboranuide;uranium.
What is the SMILES notation for dimethylazanide;oxolane;bis(1,2,3,4,5-pentamethylcyclopentane);tetraphenylboranuide;uranium?
The canonical SMILES for dimethylazanide;oxolane;bis(1,2,3,4,5-pentamethylcyclopentane);tetraphenylboranuide;uranium is C1CCOC1.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.C[N-]C.[U].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dimethylazanide;oxolane;bis(1,2,3,4,5-pentamethylcyclopentane);tetraphenylboranuide;uranium?
The InChIKey is GNOBURRUVVGXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B.2C10H20.C4H8O.C2H6N.U/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-6-7(2)9(4)10(5)8(6)3;1-2-4-5-3-1;1-3-2;/h1-20H;2*6-10H,1-5H3;1-4H2;1-2H3;/q-1;;;;-1;.
What are the key properties of dimethylazanide;oxolane;bis(1,2,3,4,5-pentamethylcyclopentane);tetraphenylboranuide;uranium?
dimethylazanide;oxolane;bis(1,2,3,4,5-pentamethylcyclopentane);tetraphenylboranuide;uranium has a molecular weight of 953.99 g/mol, XLogP of 10.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanide;oxolane;bis(1,2,3,4,5-pentamethylcyclopentane);tetraphenylboranuide;uranium is sourced from PubChem (CID 23230264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).