13a,14-dihydronaphtho[2,1-b][1,10]phenanthroline

C20H14N2 — CID 118647995

IUPAC13a,14-dihydronaphtho[2,1-b][1,10]phenanthroline
SMILESC1=CC2Nc3c(ccc4cccnc34)C=C2c2ccccc21
InChIInChI=1S/C20H14N2/c1-2-6-16-13(4-1)9-10-18-17(16)12-15-8-7-14-5-3-11-21-19(14)20(15)22-18/h1-12,18,22H
InChIKeyYLCOGJLWZILWKE-UHFFFAOYSA-N
MW282.35 g/mol
LogP4.60
Rot. Bonds

About 13a,14-dihydronaphtho[2,1-b][1,10]phenanthroline

13a,14-dihydronaphtho[2,1-b][1,10]phenanthroline (PubChem CID 118647995) has the molecular formula C20H14N2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 13a,14-dihydronaphtho[2,1-b][1,10]phenanthroline.

Molecular Properties

Compound Name13a,14-dihydronaphtho[2,1-b][1,10]phenanthroline
PubChem CID118647995
Molecular FormulaC20H14N2
Molecular Weight282.35 g/mol
Exact Mass282.12
IUPAC Name13a,14-dihydronaphtho[2,1-b][1,10]phenanthroline
SMILESC1=CC2Nc3c(ccc4cccnc34)C=C2c2ccccc21
InChIInChI=1S/C20H14N2/c1-2-6-16-13(4-1)9-10-18-17(16)12-15-8-7-14-5-3-11-21-19(14)20(15)22-18/h1-12,18,22H
InChIKeyYLCOGJLWZILWKE-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1,2-dihydropyrido[3,2-h]quinazoline
CID 126746624
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
2-(3-spiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydro-1,10-phenanthroline
CID 130379946
iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127
17-thia-3,15,18-triazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 126516642
bis(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate
CID 175753824

Frequently Asked Questions

What is the IUPAC name of 13a,14-dihydronaphtho[2,1-b][1,10]phenanthroline?
The IUPAC name of 13a,14-dihydronaphtho[2,1-b][1,10]phenanthroline (CID 118647995) is 13a,14-dihydronaphtho[2,1-b][1,10]phenanthroline.
What is the SMILES notation for 13a,14-dihydronaphtho[2,1-b][1,10]phenanthroline?
The canonical SMILES for 13a,14-dihydronaphtho[2,1-b][1,10]phenanthroline is C1=CC2Nc3c(ccc4cccnc34)C=C2c2ccccc21.
What is the InChIKey of 13a,14-dihydronaphtho[2,1-b][1,10]phenanthroline?
The InChIKey is YLCOGJLWZILWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2/c1-2-6-16-13(4-1)9-10-18-17(16)12-15-8-7-14-5-3-11-21-19(14)20(15)22-18/h1-12,18,22H.
What are the key properties of 13a,14-dihydronaphtho[2,1-b][1,10]phenanthroline?
13a,14-dihydronaphtho[2,1-b][1,10]phenanthroline has a molecular weight of 282.35 g/mol, XLogP of 4.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13a,14-dihydronaphtho[2,1-b][1,10]phenanthroline is sourced from PubChem (CID 118647995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).