(5R,6R)-5,6-dihydronaphtho[1,2-b]phenanthrene-5,6-diol

C22H16O2 — CID 19487

IUPAC(5R,6R)-5,6-dihydronaphtho[1,2-b]phenanthrene-5,6-diol
SMILESO[C@@H]1c2ccccc2-c2cc3ccc4ccccc4c3cc2[C@H]1O
InChIInChI=1S/C22H16O2/c23-21-17-8-4-3-7-16(17)19-11-14-10-9-13-5-1-2-6-15(13)18(14)12-20(19)22(21)24/h1-12,21-24H/t21-,22-/m1/s1
InChIKeyRDJMBJBJQWPDEA-FGZHOGPDSA-N
MW312.37 g/mol
LogP4.74
Rot. Bonds

About (5R,6R)-5,6-dihydronaphtho[1,2-b]phenanthrene-5,6-diol

(5R,6R)-5,6-dihydronaphtho[1,2-b]phenanthrene-5,6-diol (PubChem CID 19487) has the molecular formula C22H16O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (5R,6R)-5,6-dihydronaphtho[1,2-b]phenanthrene-5,6-diol.

Molecular Properties

Compound Name(5R,6R)-5,6-dihydronaphtho[1,2-b]phenanthrene-5,6-diol
PubChem CID19487
Molecular FormulaC22H16O2
Molecular Weight312.37 g/mol
Exact Mass312.12
IUPAC Name(5R,6R)-5,6-dihydronaphtho[1,2-b]phenanthrene-5,6-diol
SMILESO[C@@H]1c2ccccc2-c2cc3ccc4ccccc4c3cc2[C@H]1O
InChIInChI=1S/C22H16O2/c23-21-17-8-4-3-7-16(17)19-11-14-10-9-13-5-1-2-6-15(13)18(14)12-20(19)22(21)24/h1-12,21-24H/t21-,22-/m1/s1
InChIKeyRDJMBJBJQWPDEA-FGZHOGPDSA-N
XLogP4.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5,6-dihydronaphtho[1,2-b]phenanthrene-5,6-diol
CID 15011
(10S,11S)-10,11-dihydrobenzo[a]anthracene-10,11-diol
CID 23621324
naphtho[1,2-b]phenanthrene
CID 5889
(4S,6R,8S)-5-oxapentacyclo[9.8.0.03,9.04,6.012,17]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol
CID 21122826
phenanthrene-2,3-diol
CID 23048019
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
benzo[a]tetracene-8,13-dione
CID 628034
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
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
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
9-naphthalen-1-ylphenanthrene
CID 20606742
benzo[a]anthracen-8-ylmethanol
CID 25090609

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5,6-dihydronaphtho[1,2-b]phenanthrene-5,6-diol?
The IUPAC name of (5R,6R)-5,6-dihydronaphtho[1,2-b]phenanthrene-5,6-diol (CID 19487) is (5R,6R)-5,6-dihydronaphtho[1,2-b]phenanthrene-5,6-diol.
What is the SMILES notation for (5R,6R)-5,6-dihydronaphtho[1,2-b]phenanthrene-5,6-diol?
The canonical SMILES for (5R,6R)-5,6-dihydronaphtho[1,2-b]phenanthrene-5,6-diol is O[C@@H]1c2ccccc2-c2cc3ccc4ccccc4c3cc2[C@H]1O.
What is the InChIKey of (5R,6R)-5,6-dihydronaphtho[1,2-b]phenanthrene-5,6-diol?
The InChIKey is RDJMBJBJQWPDEA-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H16O2/c23-21-17-8-4-3-7-16(17)19-11-14-10-9-13-5-1-2-6-15(13)18(14)12-20(19)22(21)24/h1-12,21-24H/t21-,22-/m1/s1.
What are the key properties of (5R,6R)-5,6-dihydronaphtho[1,2-b]phenanthrene-5,6-diol?
(5R,6R)-5,6-dihydronaphtho[1,2-b]phenanthrene-5,6-diol has a molecular weight of 312.37 g/mol, XLogP of 4.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5,6-dihydronaphtho[1,2-b]phenanthrene-5,6-diol is sourced from PubChem (CID 19487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).