naphtho[2,3-f][1,10]phenanthroline

C20H12N2 — CID 15381524

IUPACnaphtho[2,3-f][1,10]phenanthroline
SMILESc1ccc2cc3c(cc2c1)c1cccnc1c1ncccc31
InChIInChI=1S/C20H12N2/c1-2-6-14-12-18-16-8-4-10-22-20(16)19-15(7-3-9-21-19)17(18)11-13(14)5-1/h1-12H
InChIKeyXHOBXFUVWIFTKG-UHFFFAOYSA-N
MW280.33 g/mol
LogP5.09
Rot. Bonds

About naphtho[2,3-f][1,10]phenanthroline

naphtho[2,3-f][1,10]phenanthroline (PubChem CID 15381524) has the molecular formula C20H12N2 and a molecular weight of 280.33 g/mol. Its IUPAC name is naphtho[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Namenaphtho[2,3-f][1,10]phenanthroline
PubChem CID15381524
Molecular FormulaC20H12N2
Molecular Weight280.33 g/mol
Exact Mass280.10
IUPAC Namenaphtho[2,3-f][1,10]phenanthroline
SMILESc1ccc2cc3c(cc2c1)c1cccnc1c1ncccc31
InChIInChI=1S/C20H12N2/c1-2-6-14-12-18-16-8-4-10-22-20(16)19-15(7-3-9-21-19)17(18)11-13(14)5-1/h1-12H
InChIKeyXHOBXFUVWIFTKG-UHFFFAOYSA-N
XLogP5.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.33
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-azapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16,18,20-undecaene-10,11-dicarbonitrile
CID 139436457
3-azapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16,18,20-undecaene-10,11-dicarbonitrile
CID 139436354
17-methyl-17,21-diazahexacyclo[12.11.0.03,12.05,10.015,19.020,25]pentacosa-1,3,5,7,9,11,13,15,18,20(25),21,23-dodecaene
CID 140948896
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
azanide;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;ruthenium
CID 164779457
4-methyl-5-oxa-11-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),2(6),3,7(12),8,10,13,15,17,19-decaene
CID 177109326
4,10,13,19,23,29,32,38-octazanonacyclo[20.16.0.03,20.05,18.06,11.012,17.024,37.025,30.031,36]octatriaconta-1(22),2,4,6(11),7,9,12(17),13,15,18,20,23,25(30),26,28,31(36),32,34,37-nonadecaene;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrachloride
CID 71762373
2,12-diazaheptacyclo[15.12.0.02,10.03,8.011,16.019,28.021,26]nonacosa-1(29),3,5,7,9,11(16),12,14,17,19,21,23,25,27-tetradecaene
CID 140949348
1,10-phenanthrolin-5-yl(triphenyl)boranuide
CID 58963801
2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline
CID 11425448
CID 87856781
CID 87856781
benzo[h]quinoline;naphthalene
CID 175017782

Frequently Asked Questions

What is the IUPAC name of naphtho[2,3-f][1,10]phenanthroline?
The IUPAC name of naphtho[2,3-f][1,10]phenanthroline (CID 15381524) is naphtho[2,3-f][1,10]phenanthroline.
What is the SMILES notation for naphtho[2,3-f][1,10]phenanthroline?
The canonical SMILES for naphtho[2,3-f][1,10]phenanthroline is c1ccc2cc3c(cc2c1)c1cccnc1c1ncccc31.
What is the InChIKey of naphtho[2,3-f][1,10]phenanthroline?
The InChIKey is XHOBXFUVWIFTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2/c1-2-6-14-12-18-16-8-4-10-22-20(16)19-15(7-3-9-21-19)17(18)11-13(14)5-1/h1-12H.
What are the key properties of naphtho[2,3-f][1,10]phenanthroline?
naphtho[2,3-f][1,10]phenanthroline has a molecular weight of 280.33 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 15381524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).