5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;1,10-phenanthroline

C34H26N4 — CID 67708124

IUPAC5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;1,10-phenanthroline
SMILESCc1c2c(nc3ccccc13)-c1nc3ccccc3c(C)c1CC2.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C22H18N2.C12H8N2/c1-13-15-7-3-5-9-19(15)23-21-17(13)11-12-18-14(2)16-8-4-6-10-20(16)24-22(18)21;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h3-10H,11-12H2,1-2H3;1-8H
InChIKeyDBQXHJDVEUWNNI-UHFFFAOYSA-N
MW490.61 g/mol
LogP7.95
Rot. Bonds

About 5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;1,10-phenanthroline

5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;1,10-phenanthroline (PubChem CID 67708124) has the molecular formula C34H26N4 and a molecular weight of 490.61 g/mol. Its IUPAC name is 5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;1,10-phenanthroline.

Molecular Properties

Compound Name5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;1,10-phenanthroline
PubChem CID67708124
Molecular FormulaC34H26N4
Molecular Weight490.61 g/mol
Exact Mass490.22
IUPAC Name5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;1,10-phenanthroline
SMILESCc1c2c(nc3ccccc13)-c1nc3ccccc3c(C)c1CC2.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C22H18N2.C12H8N2/c1-13-15-7-3-5-9-19(15)23-21-17(13)11-12-18-14(2)16-8-4-6-10-20(16)24-22(18)21;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h3-10H,11-12H2,1-2H3;1-8H
InChIKeyDBQXHJDVEUWNNI-UHFFFAOYSA-N
XLogP7.95
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine
CID 158548153
10,15-dimethyl-3,23-diazapentacyclo[12.9.0.02,11.04,9.016,22]tricosa-1(23),2,4,6,8,10,14,16(22),17,20-decaene
CID 143163436
7-(10-benzo[b][1,10]phenanthrolin-7-ylanthracen-9-yl)benzo[b][1,10]phenanthroline
CID 134559539
13-phenylquinolino[3,4-b][1,10]phenanthroline
CID 163799211
5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride
CID 90466727
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
europium;1,10-phenanthroline
CID 20606755
1,10-phenanthroline;samarium
CID 174616745
CID 58385596
CID 58385596
bis(1,10-phenanthroline);ruthenium
CID 15001085

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;1,10-phenanthroline?
The IUPAC name of 5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;1,10-phenanthroline (CID 67708124) is 5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;1,10-phenanthroline.
What is the SMILES notation for 5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;1,10-phenanthroline?
The canonical SMILES for 5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;1,10-phenanthroline is Cc1c2c(nc3ccccc13)-c1nc3ccccc3c(C)c1CC2.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;1,10-phenanthroline?
The InChIKey is DBQXHJDVEUWNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2.C12H8N2/c1-13-15-7-3-5-9-19(15)23-21-17(13)11-12-18-14(2)16-8-4-6-10-20(16)24-22(18)21;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h3-10H,11-12H2,1-2H3;1-8H.
What are the key properties of 5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;1,10-phenanthroline?
5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;1,10-phenanthroline has a molecular weight of 490.61 g/mol, XLogP of 7.95, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;1,10-phenanthroline is sourced from PubChem (CID 67708124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).