1-cyclopenta-2,4-dien-1-ylphenanthrene

C19H14 — CID 131717701

IUPAC1-cyclopenta-2,4-dien-1-ylphenanthrene
SMILESC1=CC(c2cccc3c2ccc2ccccc23)C=C1
InChIInChI=1S/C19H14/c1-2-7-14(6-1)17-10-5-11-18-16-9-4-3-8-15(16)12-13-19(17)18/h1-14H
InChIKeyIPSBLKQJGCQNLR-UHFFFAOYSA-N
MW242.32 g/mol
LogP5.20
Rot. Bonds1

About 1-cyclopenta-2,4-dien-1-ylphenanthrene

1-cyclopenta-2,4-dien-1-ylphenanthrene (PubChem CID 131717701) has the molecular formula C19H14 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylphenanthrene.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylphenanthrene
PubChem CID131717701
Molecular FormulaC19H14
Molecular Weight242.32 g/mol
Exact Mass242.11
IUPAC Name1-cyclopenta-2,4-dien-1-ylphenanthrene
SMILESC1=CC(c2cccc3c2ccc2ccccc23)C=C1
InChIInChI=1S/C19H14/c1-2-7-14(6-1)17-10-5-11-18-16-9-4-3-8-15(16)12-13-19(17)18/h1-14H
InChIKeyIPSBLKQJGCQNLR-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.32
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

chrysene;iron
CID 157379031
1-cyclohexa-2,5-dien-1-ylnaphthalene
CID 15535611
ethene;picene
CID 175286520
phenanthrene;pyrene;triphenylene
CID 162115949
phenanthrene;sulfane
CID 159172584
phenanthrene;phosphane
CID 161431298
1-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-N-(2,4,6-trimethylphenyl)methanimine
CID 154426377
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
benzo[c]phenanthrene;chrysene
CID 161372898
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
pentacyclo[8.8.0.02,7.03,6.011,16]octadeca-1(10),2(7),8,11,13,15,17-heptaene
CID 174715167
5-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-1-methyltetrazole
CID 139971797

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylphenanthrene?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylphenanthrene (CID 131717701) is 1-cyclopenta-2,4-dien-1-ylphenanthrene.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylphenanthrene?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylphenanthrene is C1=CC(c2cccc3c2ccc2ccccc23)C=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylphenanthrene?
The InChIKey is IPSBLKQJGCQNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14/c1-2-7-14(6-1)17-10-5-11-18-16-9-4-3-8-15(16)12-13-19(17)18/h1-14H.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylphenanthrene?
1-cyclopenta-2,4-dien-1-ylphenanthrene has a molecular weight of 242.32 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylphenanthrene is sourced from PubChem (CID 131717701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).