1,2-dimethylhydrazine;diphenylmethanone;phenanthrene

C29H28N2O — CID 160628551

IUPAC1,2-dimethylhydrazine;diphenylmethanone;phenanthrene
SMILESCNNC.O=C(c1ccccc1)c1ccccc1.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H10.C13H10O.C2H8N2/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-4-2/h2*1-10H;3-4H,1-2H3
InChIKeyRHPVXWRBXSVUKA-UHFFFAOYSA-N
MW420.56 g/mol
LogP6.25
Rot. Bonds3

About 1,2-dimethylhydrazine;diphenylmethanone;phenanthrene

1,2-dimethylhydrazine;diphenylmethanone;phenanthrene (PubChem CID 160628551) has the molecular formula C29H28N2O and a molecular weight of 420.56 g/mol. Its IUPAC name is 1,2-dimethylhydrazine;diphenylmethanone;phenanthrene.

Molecular Properties

Compound Name1,2-dimethylhydrazine;diphenylmethanone;phenanthrene
PubChem CID160628551
Molecular FormulaC29H28N2O
Molecular Weight420.56 g/mol
Exact Mass420.22
IUPAC Name1,2-dimethylhydrazine;diphenylmethanone;phenanthrene
SMILESCNNC.O=C(c1ccccc1)c1ccccc1.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H10.C13H10O.C2H8N2/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-4-2/h2*1-10H;3-4H,1-2H3
InChIKeyRHPVXWRBXSVUKA-UHFFFAOYSA-N
XLogP6.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
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CID 69107757
benzo[a]phenazin-9-yl(phenyl)methanone
CID 57411317
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylhydrazine;diphenylmethanone;phenanthrene?
The IUPAC name of 1,2-dimethylhydrazine;diphenylmethanone;phenanthrene (CID 160628551) is 1,2-dimethylhydrazine;diphenylmethanone;phenanthrene.
What is the SMILES notation for 1,2-dimethylhydrazine;diphenylmethanone;phenanthrene?
The canonical SMILES for 1,2-dimethylhydrazine;diphenylmethanone;phenanthrene is CNNC.O=C(c1ccccc1)c1ccccc1.c1ccc2c(c1)ccc1ccccc12.
What is the InChIKey of 1,2-dimethylhydrazine;diphenylmethanone;phenanthrene?
The InChIKey is RHPVXWRBXSVUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C13H10O.C2H8N2/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-4-2/h2*1-10H;3-4H,1-2H3.
What are the key properties of 1,2-dimethylhydrazine;diphenylmethanone;phenanthrene?
1,2-dimethylhydrazine;diphenylmethanone;phenanthrene has a molecular weight of 420.56 g/mol, XLogP of 6.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylhydrazine;diphenylmethanone;phenanthrene is sourced from PubChem (CID 160628551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).