phenanthrene

C14H10 — CID 995

IUPACphenanthrene
SMILESc1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
InChIKeyYNPNZTXNASCQKK-UHFFFAOYSA-N
MW178.23 g/mol
LogP3.99
Rot. Bonds

About phenanthrene

phenanthrene (PubChem CID 995) has the molecular formula C14H10 and a molecular weight of 178.23 g/mol. Its IUPAC name is phenanthrene.

Molecular Properties

Compound Namephenanthrene
PubChem CID995
Molecular FormulaC14H10
Molecular Weight178.23 g/mol
Exact Mass178.08
IUPAC Namephenanthrene
SMILESc1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
InChIKeyYNPNZTXNASCQKK-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 53.99
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

Naphthalene
CID 931
Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
3-Methylcholanthrene
CID 1674
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Indeno(1,2,3-cd)pyrene
CID 9131
Benzo(B)Fluoranthene
CID 9153
Fluoranthene
CID 9154

Frequently Asked Questions

What is the IUPAC name of phenanthrene?
The IUPAC name of phenanthrene (CID 995) is phenanthrene.
What is the SMILES notation for phenanthrene?
The canonical SMILES for phenanthrene is c1ccc2c(c1)ccc1ccccc12.
What is the InChIKey of phenanthrene?
The InChIKey is YNPNZTXNASCQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H.
What are the key properties of phenanthrene?
phenanthrene has a molecular weight of 178.23 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthrene is sourced from PubChem (CID 995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).