anthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+))

C108H82U2 — CID 159198266

IUPACanthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+))
SMILES[U+2].[U+2].[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1[c-]cccc1.c1ccc2cc3ccccc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C14H10.2C12H8.3C10H8.2C6H6.2U/c3*1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;3*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-4-6-5-3-1;;/h3*1-10H;2*1-7,9H;3*1-8H;2*1-6H;;/q;;;2*-2;;;;;;2*+2
InChIKeyPYQMACXCNDPBHD-UHFFFAOYSA-N
MW1855.90 g/mol
LogP29.78
Rot. Bonds2

About anthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+))

anthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+)) (PubChem CID 159198266) has the molecular formula C108H82U2 and a molecular weight of 1855.90 g/mol. Its IUPAC name is anthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+)).

Molecular Properties

Compound Nameanthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+))
PubChem CID159198266
Molecular FormulaC108H82U2
Molecular Weight1855.90 g/mol
Exact Mass1854.74
IUPAC Nameanthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+))
SMILES[U+2].[U+2].[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1[c-]cccc1.c1ccc2cc3ccccc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C14H10.2C12H8.3C10H8.2C6H6.2U/c3*1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;3*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-4-6-5-3-1;;/h3*1-10H;2*1-7,9H;3*1-8H;2*1-6H;;/q;;;2*-2;;;;;;2*+2
InChIKeyPYQMACXCNDPBHD-UHFFFAOYSA-N
XLogP29.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001855.90
LogP ≤ 529.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+))?
The IUPAC name of anthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+)) (CID 159198266) is anthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+)).
What is the SMILES notation for anthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+))?
The canonical SMILES for anthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+)) is [U+2].[U+2].[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1[c-]cccc1.c1ccc2cc3ccccc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.
What is the InChIKey of anthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+))?
The InChIKey is PYQMACXCNDPBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H10.2C12H8.3C10H8.2C6H6.2U/c3*1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;3*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-4-6-5-3-1;;/h3*1-10H;2*1-7,9H;3*1-8H;2*1-6H;;/q;;;2*-2;;;;;;2*+2.
What are the key properties of anthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+))?
anthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+)) has a molecular weight of 1855.90 g/mol, XLogP of 29.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+)) is sourced from PubChem (CID 159198266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).