1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene

C14H10 — CID 519070

IUPAC1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c([2H])c([2H])c([2H])c([2H])c12
InChIInChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
InChIKeyYNPNZTXNASCQKK-LHNTUAQVSA-N
MW188.30 g/mol
LogP3.99
Rot. Bonds

About 1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene

1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene (PubChem CID 519070) has the molecular formula C14H10 and a molecular weight of 188.30 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene
PubChem CID519070
Molecular FormulaC14H10
Molecular Weight188.30 g/mol
Exact Mass188.14
IUPAC Name1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c([2H])c([2H])c([2H])c([2H])c12
InChIInChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
InChIKeyYNPNZTXNASCQKK-LHNTUAQVSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene?
The IUPAC name of 1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene (CID 519070) is 1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene.
What is the SMILES notation for 1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene?
The canonical SMILES for 1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene is [2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c([2H])c([2H])c([2H])c([2H])c12.
What is the InChIKey of 1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene?
The InChIKey is YNPNZTXNASCQKK-LHNTUAQVSA-N. The full InChI is InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D.
What are the key properties of 1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene?
1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene has a molecular weight of 188.30 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene is sourced from PubChem (CID 519070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).