carbanide;ethane;methane;phenyliodanuidylbenzene

C18H29I-2 — CID 158138058

IUPACcarbanide;ethane;methane;phenyliodanuidylbenzene
SMILESC.CC.CC.[CH3-].c1ccc([I-]c2ccccc2)cc1
InChIInChI=1S/C12H10I.2C2H6.CH4.CH3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2;;/h1-10H;2*1-2H3;1H4;1H3/q-1;;;;-1
InChIKeySHFAEPBFUIWMKF-UHFFFAOYSA-N
MW372.33 g/mol
LogP2.95
Rot. Bonds2

About carbanide;ethane;methane;phenyliodanuidylbenzene

carbanide;ethane;methane;phenyliodanuidylbenzene (PubChem CID 158138058) has the molecular formula C18H29I-2 and a molecular weight of 372.33 g/mol. Its IUPAC name is carbanide;ethane;methane;phenyliodanuidylbenzene.

Molecular Properties

Compound Namecarbanide;ethane;methane;phenyliodanuidylbenzene
PubChem CID158138058
Molecular FormulaC18H29I-2
Molecular Weight372.33 g/mol
Exact Mass372.13
IUPAC Namecarbanide;ethane;methane;phenyliodanuidylbenzene
SMILESC.CC.CC.[CH3-].c1ccc([I-]c2ccccc2)cc1
InChIInChI=1S/C12H10I.2C2H6.CH4.CH3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2;;/h1-10H;2*1-2H3;1H4;1H3/q-1;;;;-1
InChIKeySHFAEPBFUIWMKF-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Diphenyl diselenide
CID 15460
Iodobenzene
CID 11575
Diphenylmercury
CID 11488
Dimethyldiphenylphosphonium iodide
CID 11099938
Diphenyl ditelluride
CID 100657
Triphenylstannane
CID 6460
Diphenyliodonium chloride
CID 73870
Allyltriphenyltin
CID 6452
Tributylphenyltin
CID 607632
Ethyltriphenylphosphonium iodide
CID 78474
Dibutyldiphenylstannane
CID 80932
Benzene, 1,1'-selenobis-
CID 14333

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;methane;phenyliodanuidylbenzene?
The IUPAC name of carbanide;ethane;methane;phenyliodanuidylbenzene (CID 158138058) is carbanide;ethane;methane;phenyliodanuidylbenzene.
What is the SMILES notation for carbanide;ethane;methane;phenyliodanuidylbenzene?
The canonical SMILES for carbanide;ethane;methane;phenyliodanuidylbenzene is C.CC.CC.[CH3-].c1ccc([I-]c2ccccc2)cc1.
What is the InChIKey of carbanide;ethane;methane;phenyliodanuidylbenzene?
The InChIKey is SHFAEPBFUIWMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10I.2C2H6.CH4.CH3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2;;/h1-10H;2*1-2H3;1H4;1H3/q-1;;;;-1.
What are the key properties of carbanide;ethane;methane;phenyliodanuidylbenzene?
carbanide;ethane;methane;phenyliodanuidylbenzene has a molecular weight of 372.33 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;methane;phenyliodanuidylbenzene is sourced from PubChem (CID 158138058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).