cyclopenta-1,3-diene;phenanthrene

C19H16 — CID 159923928

IUPACcyclopenta-1,3-diene;phenanthrene
SMILESC1=CCC=C1.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H10.C5H6/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-4-5-3-1/h1-10H;1-4H,5H2
InChIKeyNYTOPFFXYIZCDN-UHFFFAOYSA-N
MW244.34 g/mol
LogP5.50
Rot. Bonds

About cyclopenta-1,3-diene;phenanthrene

cyclopenta-1,3-diene;phenanthrene (PubChem CID 159923928) has the molecular formula C19H16 and a molecular weight of 244.34 g/mol. Its IUPAC name is cyclopenta-1,3-diene;phenanthrene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;phenanthrene
PubChem CID159923928
Molecular FormulaC19H16
Molecular Weight244.34 g/mol
Exact Mass244.13
IUPAC Namecyclopenta-1,3-diene;phenanthrene
SMILESC1=CCC=C1.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H10.C5H6/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-4-5-3-1/h1-10H;1-4H,5H2
InChIKeyNYTOPFFXYIZCDN-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.34
LogP ≤ 55.50
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

phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
ethane;methane;phenanthrene
CID 144939263
ethane;methane;phenanthrene
CID 144938954
phenanthrene;phosphinous acid
CID 174826862
chrysene;iron
CID 157379031
anthracene;naphthalene;phenanthrene
CID 158591187
naphtho[1,2-b]phenanthrene
CID 5889
ethene;picene
CID 175286520
bis(cyclopenta-1,3-diene);1,2,3,4-tetrahydrochrysen-1-ylmethanediol
CID 174916141
phenanthrene;pyrene;triphenylene
CID 162115949
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;phenanthrene?
The IUPAC name of cyclopenta-1,3-diene;phenanthrene (CID 159923928) is cyclopenta-1,3-diene;phenanthrene.
What is the SMILES notation for cyclopenta-1,3-diene;phenanthrene?
The canonical SMILES for cyclopenta-1,3-diene;phenanthrene is C1=CCC=C1.c1ccc2c(c1)ccc1ccccc12.
What is the InChIKey of cyclopenta-1,3-diene;phenanthrene?
The InChIKey is NYTOPFFXYIZCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C5H6/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-4-5-3-1/h1-10H;1-4H,5H2.
What are the key properties of cyclopenta-1,3-diene;phenanthrene?
cyclopenta-1,3-diene;phenanthrene has a molecular weight of 244.34 g/mol, XLogP of 5.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;phenanthrene is sourced from PubChem (CID 159923928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).