13-[4-(2,6-diphenyl-4-pyridinyl)phenyl]quinolino[3,4-b][1,10]phenanthroline

C42H26N4 — CID 170197849

IUPAC13-[4-(2,6-diphenyl-4-pyridinyl)phenyl]quinolino[3,4-b][1,10]phenanthroline
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5cc6ccc7cccnc7c6nc45)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H26N4/c1-3-10-28(11-4-1)37-25-33(26-38(44-37)29-12-5-2-6-13-29)27-17-19-31(20-18-27)40-42-35(34-15-7-8-16-36(34)45-40)24-32-22-21-30-14-9-23-43-39(30)41(32)46-42/h1-26H
InChIKeyBEDVJXIAGFPGKU-UHFFFAOYSA-N
MW586.70 g/mol
LogP10.55
Rot. Bonds4

About 13-[4-(2,6-diphenyl-4-pyridinyl)phenyl]quinolino[3,4-b][1,10]phenanthroline

13-[4-(2,6-diphenyl-4-pyridinyl)phenyl]quinolino[3,4-b][1,10]phenanthroline (PubChem CID 170197849) has the molecular formula C42H26N4 and a molecular weight of 586.70 g/mol. Its IUPAC name is 13-[4-(2,6-diphenyl-4-pyridinyl)phenyl]quinolino[3,4-b][1,10]phenanthroline.

Molecular Properties

Compound Name13-[4-(2,6-diphenyl-4-pyridinyl)phenyl]quinolino[3,4-b][1,10]phenanthroline
PubChem CID170197849
Molecular FormulaC42H26N4
Molecular Weight586.70 g/mol
Exact Mass586.22
IUPAC Name13-[4-(2,6-diphenyl-4-pyridinyl)phenyl]quinolino[3,4-b][1,10]phenanthroline
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5cc6ccc7cccnc7c6nc45)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H26N4/c1-3-10-28(11-4-1)37-25-33(26-38(44-37)29-12-5-2-6-13-29)27-17-19-31(20-18-27)40-42-35(34-15-7-8-16-36(34)45-40)24-32-22-21-30-14-9-23-43-39(30)41(32)46-42/h1-26H
InChIKeyBEDVJXIAGFPGKU-UHFFFAOYSA-N
XLogP10.55
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.70
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-phenylquinolino[3,4-b][1,10]phenanthroline
CID 163799211
2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline
CID 146474012
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
4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline
CID 160846068
7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline
CID 155792487
3-(4,6-diphenyl-2-pyridinyl)-8-(4-phenylphenyl)quinolino[7,8-h]quinoline
CID 155765276
2-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 168797186
2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline
CID 167110208
7-[4-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-3-ylphenyl)-4-pyridinyl]phenyl]benzo[b][1,10]phenanthroline
CID 139445711
2-phenyl-4-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]-1,10-phenanthroline
CID 155006745

Frequently Asked Questions

What is the IUPAC name of 13-[4-(2,6-diphenyl-4-pyridinyl)phenyl]quinolino[3,4-b][1,10]phenanthroline?
The IUPAC name of 13-[4-(2,6-diphenyl-4-pyridinyl)phenyl]quinolino[3,4-b][1,10]phenanthroline (CID 170197849) is 13-[4-(2,6-diphenyl-4-pyridinyl)phenyl]quinolino[3,4-b][1,10]phenanthroline.
What is the SMILES notation for 13-[4-(2,6-diphenyl-4-pyridinyl)phenyl]quinolino[3,4-b][1,10]phenanthroline?
The canonical SMILES for 13-[4-(2,6-diphenyl-4-pyridinyl)phenyl]quinolino[3,4-b][1,10]phenanthroline is c1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5cc6ccc7cccnc7c6nc45)cc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 13-[4-(2,6-diphenyl-4-pyridinyl)phenyl]quinolino[3,4-b][1,10]phenanthroline?
The InChIKey is BEDVJXIAGFPGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4/c1-3-10-28(11-4-1)37-25-33(26-38(44-37)29-12-5-2-6-13-29)27-17-19-31(20-18-27)40-42-35(34-15-7-8-16-36(34)45-40)24-32-22-21-30-14-9-23-43-39(30)41(32)46-42/h1-26H.
What are the key properties of 13-[4-(2,6-diphenyl-4-pyridinyl)phenyl]quinolino[3,4-b][1,10]phenanthroline?
13-[4-(2,6-diphenyl-4-pyridinyl)phenyl]quinolino[3,4-b][1,10]phenanthroline has a molecular weight of 586.70 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[4-(2,6-diphenyl-4-pyridinyl)phenyl]quinolino[3,4-b][1,10]phenanthroline is sourced from PubChem (CID 170197849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).