carbanide;1-cyclopenta-1,4-dien-1-ylphenanthrene;platinum(4+)

C22H22Pt — CID 22129003

IUPACcarbanide;1-cyclopenta-1,4-dien-1-ylphenanthrene;platinum(4+)
SMILES[C-]1=C(c2cccc3c2ccc2ccccc23)C=CC1.[CH3-].[CH3-].[CH3-].[Pt+4]
InChIInChI=1S/C19H13.3CH3.Pt/c1-2-7-14(6-1)17-10-5-11-18-16-9-4-3-8-15(16)12-13-19(17)18;;;;/h1,3-6,8-13H,2H2;3*1H3;/q4*-1;+4
InChIKeyJXJMTJYUBZGPTO-UHFFFAOYSA-N
MW481.50 g/mol
LogP6.49
Rot. Bonds1

About carbanide;1-cyclopenta-1,4-dien-1-ylphenanthrene;platinum(4+)

carbanide;1-cyclopenta-1,4-dien-1-ylphenanthrene;platinum(4+) (PubChem CID 22129003) has the molecular formula C22H22Pt and a molecular weight of 481.50 g/mol. Its IUPAC name is carbanide;1-cyclopenta-1,4-dien-1-ylphenanthrene;platinum(4+).

Molecular Properties

Compound Namecarbanide;1-cyclopenta-1,4-dien-1-ylphenanthrene;platinum(4+)
PubChem CID22129003
Molecular FormulaC22H22Pt
Molecular Weight481.50 g/mol
Exact Mass481.14
IUPAC Namecarbanide;1-cyclopenta-1,4-dien-1-ylphenanthrene;platinum(4+)
SMILES[C-]1=C(c2cccc3c2ccc2ccccc23)C=CC1.[CH3-].[CH3-].[CH3-].[Pt+4]
InChIInChI=1S/C19H13.3CH3.Pt/c1-2-7-14(6-1)17-10-5-11-18-16-9-4-3-8-15(16)12-13-19(17)18;;;;/h1,3-6,8-13H,2H2;3*1H3;/q4*-1;+4
InChIKeyJXJMTJYUBZGPTO-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.50
LogP ≤ 56.49
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_3', 'substructure': 'N/A'}

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Related Compounds

lithium 1-cyclopenta-1,4-dien-1-ylpentaphene
CID 175065646
chrysene;iron
CID 157379031
1-(1H-inden-4-yl)phenanthrene
CID 174767393
ethene;picene
CID 175286520
2-phenanthren-1-ylfuran
CID 142748745
phenanthrene;pyrene;triphenylene
CID 162115949
1,1-diiodo-2H-picene
CID 88600315
9,10-dihydrophenanthrene;phenanthrene
CID 159340402
chrysene;furan
CID 175516066
pentacyclo[11.6.1.02,11.05,10.016,20]icosa-1,3,5,7,9,11,13(20),16,18-nonaene-14,15-dione
CID 59171863
undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene
CID 140861554
1-(2,3-dimethylphenyl)phenanthrene
CID 175838627

Frequently Asked Questions

What is the IUPAC name of carbanide;1-cyclopenta-1,4-dien-1-ylphenanthrene;platinum(4+)?
The IUPAC name of carbanide;1-cyclopenta-1,4-dien-1-ylphenanthrene;platinum(4+) (CID 22129003) is carbanide;1-cyclopenta-1,4-dien-1-ylphenanthrene;platinum(4+).
What is the SMILES notation for carbanide;1-cyclopenta-1,4-dien-1-ylphenanthrene;platinum(4+)?
The canonical SMILES for carbanide;1-cyclopenta-1,4-dien-1-ylphenanthrene;platinum(4+) is [C-]1=C(c2cccc3c2ccc2ccccc23)C=CC1.[CH3-].[CH3-].[CH3-].[Pt+4].
What is the InChIKey of carbanide;1-cyclopenta-1,4-dien-1-ylphenanthrene;platinum(4+)?
The InChIKey is JXJMTJYUBZGPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13.3CH3.Pt/c1-2-7-14(6-1)17-10-5-11-18-16-9-4-3-8-15(16)12-13-19(17)18;;;;/h1,3-6,8-13H,2H2;3*1H3;/q4*-1;+4.
What are the key properties of carbanide;1-cyclopenta-1,4-dien-1-ylphenanthrene;platinum(4+)?
carbanide;1-cyclopenta-1,4-dien-1-ylphenanthrene;platinum(4+) has a molecular weight of 481.50 g/mol, XLogP of 6.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-cyclopenta-1,4-dien-1-ylphenanthrene;platinum(4+) is sourced from PubChem (CID 22129003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).