13-phenylquinolino[3,4-b][1,10]phenanthroline

C25H15N3 — CID 163799211

IUPAC13-phenylquinolino[3,4-b][1,10]phenanthroline
SMILESc1ccc(-c2nc3ccccc3c3cc4ccc5cccnc5c4nc23)cc1
InChIInChI=1S/C25H15N3/c1-2-7-16(8-3-1)23-25-20(19-10-4-5-11-21(19)27-23)15-18-13-12-17-9-6-14-26-22(17)24(18)28-25/h1-15H
InChIKeyNDNNZJXDSLXKMV-UHFFFAOYSA-N
MW357.42 g/mol
LogP6.15
Rot. Bonds1

About 13-phenylquinolino[3,4-b][1,10]phenanthroline

13-phenylquinolino[3,4-b][1,10]phenanthroline (PubChem CID 163799211) has the molecular formula C25H15N3 and a molecular weight of 357.42 g/mol. Its IUPAC name is 13-phenylquinolino[3,4-b][1,10]phenanthroline.

Molecular Properties

Compound Name13-phenylquinolino[3,4-b][1,10]phenanthroline
PubChem CID163799211
Molecular FormulaC25H15N3
Molecular Weight357.42 g/mol
Exact Mass357.13
IUPAC Name13-phenylquinolino[3,4-b][1,10]phenanthroline
SMILESc1ccc(-c2nc3ccccc3c3cc4ccc5cccnc5c4nc23)cc1
InChIInChI=1S/C25H15N3/c1-2-7-16(8-3-1)23-25-20(19-10-4-5-11-21(19)27-23)15-18-13-12-17-9-6-14-26-22(17)24(18)28-25/h1-15H
InChIKeyNDNNZJXDSLXKMV-UHFFFAOYSA-N
XLogP6.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.42
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

13-[4-(2,6-diphenyl-4-pyridinyl)phenyl]quinolino[3,4-b][1,10]phenanthroline
CID 170197849
15-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,5,16-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),5,7,10,12,15,17,19,21-undecaene
CID 163719946
2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 176785197
6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline
CID 147415127
6-(4-bromophenyl)quinolino[2,3-c]quinoline
CID 122472002
7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline
CID 155792487
4-[4-[7-(1,10-phenanthrolin-2-yl)benzo[k]phenanthridin-6-yl]phenyl]-N,N-diphenylaniline
CID 171055228
11-(1,10-phenanthrolin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513096
2-[6-(1,10-phenanthrolin-5-yl)quinolin-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445845
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 152916568
6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine
CID 146231062
7-methoxy-1-(1,10-phenanthrolin-2-yl)-6-phenylbenzo[k]phenanthridine
CID 171055106

Frequently Asked Questions

What is the IUPAC name of 13-phenylquinolino[3,4-b][1,10]phenanthroline?
The IUPAC name of 13-phenylquinolino[3,4-b][1,10]phenanthroline (CID 163799211) is 13-phenylquinolino[3,4-b][1,10]phenanthroline.
What is the SMILES notation for 13-phenylquinolino[3,4-b][1,10]phenanthroline?
The canonical SMILES for 13-phenylquinolino[3,4-b][1,10]phenanthroline is c1ccc(-c2nc3ccccc3c3cc4ccc5cccnc5c4nc23)cc1.
What is the InChIKey of 13-phenylquinolino[3,4-b][1,10]phenanthroline?
The InChIKey is NDNNZJXDSLXKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N3/c1-2-7-16(8-3-1)23-25-20(19-10-4-5-11-21(19)27-23)15-18-13-12-17-9-6-14-26-22(17)24(18)28-25/h1-15H.
What are the key properties of 13-phenylquinolino[3,4-b][1,10]phenanthroline?
13-phenylquinolino[3,4-b][1,10]phenanthroline has a molecular weight of 357.42 g/mol, XLogP of 6.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-phenylquinolino[3,4-b][1,10]phenanthroline is sourced from PubChem (CID 163799211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).