15H-cyclopenta[a]phenanthrene;methane

C18H16 — CID 158927443

IUPAC15H-cyclopenta[a]phenanthrene;methane
SMILESC.C1=Cc2ccc3c(ccc4ccccc43)c2C1
InChIInChI=1S/C17H12.CH4/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17;/h1-6,8-11H,7H2;1H4
InChIKeyYSNDDAVNPDGANZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP5.20
Rot. Bonds

About 15H-cyclopenta[a]phenanthrene;methane

15H-cyclopenta[a]phenanthrene;methane (PubChem CID 158927443) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is 15H-cyclopenta[a]phenanthrene;methane.

Molecular Properties

Compound Name15H-cyclopenta[a]phenanthrene;methane
PubChem CID158927443
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name15H-cyclopenta[a]phenanthrene;methane
SMILESC.C1=Cc2ccc3c(ccc4ccccc43)c2C1
InChIInChI=1S/C17H12.CH4/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17;/h1-6,8-11H,7H2;1H4
InChIKeyYSNDDAVNPDGANZ-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.33
LogP ≤ 55.20
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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Related Compounds

1,8-dihydro-as-indacene
CID 11030043
chrysene;iron
CID 157379031
1-(1H-inden-4-yl)phenanthrene
CID 174767393
15H-cyclopenta[a]phenanthren-3-yl 2-methylbenzoate
CID 88537801
1,1-diiodo-2H-picene
CID 88600315
ethene;picene
CID 175286520
15H-cyclopenta[a]phenanthren-3-yl N-ethylcarbamate
CID 88537918
methane;1,2,3,4-tetrahydrochrysene
CID 174298676
benzene;methane;1,2,3,4-tetrahydrochrysene
CID 174815578
4H-triphenylen-1-one
CID 21225631
1-diazo-2H-chrysene
CID 154175464
ethane;methane;phenanthrene
CID 144939263

Frequently Asked Questions

What is the IUPAC name of 15H-cyclopenta[a]phenanthrene;methane?
The IUPAC name of 15H-cyclopenta[a]phenanthrene;methane (CID 158927443) is 15H-cyclopenta[a]phenanthrene;methane.
What is the SMILES notation for 15H-cyclopenta[a]phenanthrene;methane?
The canonical SMILES for 15H-cyclopenta[a]phenanthrene;methane is C.C1=Cc2ccc3c(ccc4ccccc43)c2C1.
What is the InChIKey of 15H-cyclopenta[a]phenanthrene;methane?
The InChIKey is YSNDDAVNPDGANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12.CH4/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17;/h1-6,8-11H,7H2;1H4.
What are the key properties of 15H-cyclopenta[a]phenanthrene;methane?
15H-cyclopenta[a]phenanthrene;methane has a molecular weight of 232.33 g/mol, XLogP of 5.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15H-cyclopenta[a]phenanthrene;methane is sourced from PubChem (CID 158927443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).