benzo[c]phenanthrene

C18H12 — CID 9136

IUPACbenzo[c]phenanthrene
SMILESc1ccc2c(c1)ccc1ccc3ccccc3c12
InChIInChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H
InChIKeyTUAHORSUHVUKBD-UHFFFAOYSA-N
MW228.29 g/mol
LogP5.15
Rot. Bonds

About benzo[c]phenanthrene

benzo[c]phenanthrene (PubChem CID 9136) has the molecular formula C18H12 and a molecular weight of 228.29 g/mol. Its IUPAC name is benzo[c]phenanthrene.

Molecular Properties

Compound Namebenzo[c]phenanthrene
PubChem CID9136
Molecular FormulaC18H12
Molecular Weight228.29 g/mol
Exact Mass228.09
IUPAC Namebenzo[c]phenanthrene
SMILESc1ccc2c(c1)ccc1ccc3ccccc3c12
InChIInChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H
InChIKeyTUAHORSUHVUKBD-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.29
LogP ≤ 55.15
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 benzo[c]phenanthrene?
The IUPAC name of benzo[c]phenanthrene (CID 9136) is benzo[c]phenanthrene.
What is the SMILES notation for benzo[c]phenanthrene?
The canonical SMILES for benzo[c]phenanthrene is c1ccc2c(c1)ccc1ccc3ccccc3c12.
What is the InChIKey of benzo[c]phenanthrene?
The InChIKey is TUAHORSUHVUKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H.
What are the key properties of benzo[c]phenanthrene?
benzo[c]phenanthrene has a molecular weight of 228.29 g/mol, XLogP of 5.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[c]phenanthrene is sourced from PubChem (CID 9136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).