(4aR,4bR)-4a,4b-dihydrophenanthrene

C14H12 — CID 71350891

IUPAC(4aR,4bR)-4a,4b-dihydrophenanthrene
SMILESC1=CC2=CC=C3C=CC=C[C@@H]3[C@H]2C=C1
InChIInChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10,13-14H/t13-,14-/m0/s1
InChIKeyZQNQJMXFVWUBDO-KBPBESRZSA-N
MW180.25 g/mol
LogP3.34
Rot. Bonds

About (4aR,4bR)-4a,4b-dihydrophenanthrene

(4aR,4bR)-4a,4b-dihydrophenanthrene (PubChem CID 71350891) has the molecular formula C14H12 and a molecular weight of 180.25 g/mol. Its IUPAC name is (4aR,4bR)-4a,4b-dihydrophenanthrene.

Molecular Properties

Compound Name(4aR,4bR)-4a,4b-dihydrophenanthrene
PubChem CID71350891
Molecular FormulaC14H12
Molecular Weight180.25 g/mol
Exact Mass180.09
IUPAC Name(4aR,4bR)-4a,4b-dihydrophenanthrene
SMILESC1=CC2=CC=C3C=CC=C[C@@H]3[C@H]2C=C1
InChIInChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10,13-14H/t13-,14-/m0/s1
InChIKeyZQNQJMXFVWUBDO-KBPBESRZSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (4aR,4bR)-4a,4b-dihydrophenanthrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4aR,4bR)-4a,4b-dihydrophenanthrene?
The IUPAC name of (4aR,4bR)-4a,4b-dihydrophenanthrene (CID 71350891) is (4aR,4bR)-4a,4b-dihydrophenanthrene.
What is the SMILES notation for (4aR,4bR)-4a,4b-dihydrophenanthrene?
The canonical SMILES for (4aR,4bR)-4a,4b-dihydrophenanthrene is C1=CC2=CC=C3C=CC=C[C@@H]3[C@H]2C=C1.
What is the InChIKey of (4aR,4bR)-4a,4b-dihydrophenanthrene?
The InChIKey is ZQNQJMXFVWUBDO-KBPBESRZSA-N. The full InChI is InChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10,13-14H/t13-,14-/m0/s1.
What are the key properties of (4aR,4bR)-4a,4b-dihydrophenanthrene?
(4aR,4bR)-4a,4b-dihydrophenanthrene has a molecular weight of 180.25 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,4bR)-4a,4b-dihydrophenanthrene is sourced from PubChem (CID 71350891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).