6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline

C40H26N4 — CID 147418252

IUPAC6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline
SMILESc1cc(-c2ccc(-c3cc4cccnc4c4ccccc34)cc2)cc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)c1
InChIInChI=1S/C40H26N4/c1-2-9-36-35(8-1)37(24-33-7-4-18-43-40(33)36)28-12-10-27(11-13-28)31-5-3-6-32(23-31)34-25-38(29-14-19-41-20-15-29)44-39(26-34)30-16-21-42-22-17-30/h1-26H
InChIKeyDRYPQMLYTISBQV-UHFFFAOYSA-N
MW562.68 g/mol
LogP9.91
Rot. Bonds5

About 6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline

6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline (PubChem CID 147418252) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline.

Molecular Properties

Compound Name6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline
PubChem CID147418252
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline
SMILESc1cc(-c2ccc(-c3cc4cccnc4c4ccccc34)cc2)cc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)c1
InChIInChI=1S/C40H26N4/c1-2-9-36-35(8-1)37(24-33-7-4-18-43-40(33)36)28-12-10-27(11-13-28)31-5-3-6-32(23-31)34-25-38(29-14-19-41-20-15-29)44-39(26-34)30-16-21-42-22-17-30/h1-26H
InChIKeyDRYPQMLYTISBQV-UHFFFAOYSA-N
XLogP9.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 59.91
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-[4-[3,5-bis[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 121460993
6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[h]quinoline
CID 152931593
4,6-diphenyl-2-(4-pyridin-3-ylphenyl)benzo[h]quinoline;4,6-diphenyl-2-(4-pyridin-4-ylphenyl)benzo[h]quinoline
CID 159526499
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
2-(3-phenanthren-3-yl-5-pyridin-4-ylphenyl)-4,6-diphenylpyridine
CID 122415977
4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline
CID 118603197
4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine
CID 166685143
7-(3,5-diphenylphenyl)benzo[h]quinoline
CID 140719025
2-(3-benzo[h]quinolin-6-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[h]quinoline;6-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;6-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[h]quinoline
CID 161417806
3-(4,6-diphenyl-2-pyridinyl)-8-(4-phenylphenyl)quinolino[7,8-h]quinoline
CID 155765276
6-(3,5-diisocyanophenyl)-12-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]quinolino[6,5-f]quinoline
CID 164766403
6-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[h]quinoline
CID 149456781

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline?
The IUPAC name of 6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline (CID 147418252) is 6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline.
What is the SMILES notation for 6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline?
The canonical SMILES for 6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline is c1cc(-c2ccc(-c3cc4cccnc4c4ccccc34)cc2)cc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)c1.
What is the InChIKey of 6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline?
The InChIKey is DRYPQMLYTISBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-2-9-36-35(8-1)37(24-33-7-4-18-43-40(33)36)28-12-10-27(11-13-28)31-5-3-6-32(23-31)34-25-38(29-14-19-41-20-15-29)44-39(26-34)30-16-21-42-22-17-30/h1-26H.
What are the key properties of 6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline?
6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline has a molecular weight of 562.68 g/mol, XLogP of 9.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline is sourced from PubChem (CID 147418252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).