5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine;platinum

C21H21N3Pt — CID 175022607

IUPAC5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine;platinum
SMILESCCN1c2cc(N)ccc2-c2ccc(N)cc2C1c1ccccc1.[Pt]
InChIInChI=1S/C21H21N3.Pt/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;/h3-13,21H,2,22-23H2,1H3;
InChIKeyBKAIXWIRKGBDNN-UHFFFAOYSA-N
MW510.50 g/mol
LogP4.44
Rot. Bonds2

About 5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine;platinum

5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine;platinum (PubChem CID 175022607) has the molecular formula C21H21N3Pt and a molecular weight of 510.50 g/mol. Its IUPAC name is 5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine;platinum.

Molecular Properties

Compound Name5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine;platinum
PubChem CID175022607
Molecular FormulaC21H21N3Pt
Molecular Weight510.50 g/mol
Exact Mass510.14
IUPAC Name5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine;platinum
SMILESCCN1c2cc(N)ccc2-c2ccc(N)cc2C1c1ccccc1.[Pt]
InChIInChI=1S/C21H21N3.Pt/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;/h3-13,21H,2,22-23H2,1H3;
InChIKeyBKAIXWIRKGBDNN-UHFFFAOYSA-N
XLogP4.44
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.50
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine;platinum?
The IUPAC name of 5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine;platinum (CID 175022607) is 5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine;platinum.
What is the SMILES notation for 5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine;platinum?
The canonical SMILES for 5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine;platinum is CCN1c2cc(N)ccc2-c2ccc(N)cc2C1c1ccccc1.[Pt].
What is the InChIKey of 5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine;platinum?
The InChIKey is BKAIXWIRKGBDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3.Pt/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;/h3-13,21H,2,22-23H2,1H3;.
What are the key properties of 5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine;platinum?
5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine;platinum has a molecular weight of 510.50 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine;platinum is sourced from PubChem (CID 175022607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).