acephenanthrylene

C16H10 — CID 9143

IUPACacephenanthrylene
SMILESC1=Cc2cc3ccccc3c3cccc1c23
InChIInChI=1S/C16H10/c1-2-6-14-12(4-1)10-13-9-8-11-5-3-7-15(14)16(11)13/h1-10H
InChIKeySQFPKRNUGBRTAR-UHFFFAOYSA-N
MW202.26 g/mol
LogP4.48
Rot. Bonds

About acephenanthrylene

acephenanthrylene (PubChem CID 9143) has the molecular formula C16H10 and a molecular weight of 202.26 g/mol. Its IUPAC name is acephenanthrylene.

Molecular Properties

Compound Nameacephenanthrylene
PubChem CID9143
Molecular FormulaC16H10
Molecular Weight202.26 g/mol
Exact Mass202.08
IUPAC Nameacephenanthrylene
SMILESC1=Cc2cc3ccccc3c3cccc1c23
InChIInChI=1S/C16H10/c1-2-6-14-12(4-1)10-13-9-8-11-5-3-7-15(14)16(11)13/h1-10H
InChIKeySQFPKRNUGBRTAR-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze acephenanthrylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Naphthalene
CID 931
Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
3-Methylcholanthrene
CID 1674
BENZ(a)ANTHRACENE
CID 5954
Benzo(E)Pyrene
CID 9128
Benzo(B)Fluoranthene
CID 9153
Fluoranthene
CID 9154
Benzo(K)Fluoranthene
CID 9158

Frequently Asked Questions

What is the IUPAC name of acephenanthrylene?
The IUPAC name of acephenanthrylene (CID 9143) is acephenanthrylene.
What is the SMILES notation for acephenanthrylene?
The canonical SMILES for acephenanthrylene is C1=Cc2cc3ccccc3c3cccc1c23.
What is the InChIKey of acephenanthrylene?
The InChIKey is SQFPKRNUGBRTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10/c1-2-6-14-12(4-1)10-13-9-8-11-5-3-7-15(14)16(11)13/h1-10H.
What are the key properties of acephenanthrylene?
acephenanthrylene has a molecular weight of 202.26 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acephenanthrylene is sourced from PubChem (CID 9143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).