8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline

C47H29N3 — CID 167027860

IUPAC8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline
SMILESc1cc(-c2ccc3c4ccccc4c4cc(-c5cc(-c6cccc7cccnc67)ccn5)ccc4c3c2)cc(-c2cccc3cccnc23)c1
InChIInChI=1S/C47H29N3/c1-2-15-40-39(14-1)41-20-18-33(32-10-3-11-34(26-32)37-16-4-8-30-12-6-23-49-46(30)37)27-43(41)42-21-19-36(28-44(40)42)45-29-35(22-25-48-45)38-17-5-9-31-13-7-24-50-47(31)38/h1-29H
InChIKeyPSLOAHKIZGXVSO-UHFFFAOYSA-N
MW635.77 g/mol
LogP12.31
Rot. Bonds4

About 8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline

8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline (PubChem CID 167027860) has the molecular formula C47H29N3 and a molecular weight of 635.77 g/mol. Its IUPAC name is 8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline.

Molecular Properties

Compound Name8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline
PubChem CID167027860
Molecular FormulaC47H29N3
Molecular Weight635.77 g/mol
Exact Mass635.24
IUPAC Name8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline
SMILESc1cc(-c2ccc3c4ccccc4c4cc(-c5cc(-c6cccc7cccnc67)ccn5)ccc4c3c2)cc(-c2cccc3cccnc23)c1
InChIInChI=1S/C47H29N3/c1-2-15-40-39(14-1)41-20-18-33(32-10-3-11-34(26-32)37-16-4-8-30-12-6-23-49-46(30)37)27-43(41)42-21-19-36(28-44(40)42)45-29-35(22-25-48-45)38-17-5-9-31-13-7-24-50-47(31)38/h1-29H
InChIKeyPSLOAHKIZGXVSO-UHFFFAOYSA-N
XLogP12.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.77
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[11-(3,10-dipyridin-2-yltriphenylen-1-yl)-7-quinolin-8-yltriphenylen-2-yl]-4-(7-pyridin-2-yltriphenylen-2-yl)quinoline
CID 137458976
7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 168745164
3-[3,8-bis(3-quinolin-6-ylphenyl)phenanthren-1-yl]-8-[3-[1-(3-quinolin-8-ylphenyl)phenanthren-3-yl]phenyl]quinoline
CID 137458731
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
1-[6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-4-quinolin-8-yl-2-pyridinyl]-9H-carbazole
CID 140854140
2-phenyl-4-triphenylen-2-ylpyridine
CID 168743611
3-[2-(3-phenanthren-3-ylphenyl)-6-quinolin-8-yl-4-pyridinyl]-1,10-phenanthroline
CID 171460024
7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 153156483
6-[3-[6-(3-quinolin-6-ylphenyl)phenanthren-1-yl]phenyl]quinoline
CID 121287344
4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline
CID 168853179
2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 153435461
4-pyridin-4-yl-2-[7-(4-pyridin-4-yl-2-pyridinyl)triphenylen-2-yl]pyridine
CID 166504132

Frequently Asked Questions

What is the IUPAC name of 8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline?
The IUPAC name of 8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline (CID 167027860) is 8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline.
What is the SMILES notation for 8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline?
The canonical SMILES for 8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline is c1cc(-c2ccc3c4ccccc4c4cc(-c5cc(-c6cccc7cccnc67)ccn5)ccc4c3c2)cc(-c2cccc3cccnc23)c1.
What is the InChIKey of 8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline?
The InChIKey is PSLOAHKIZGXVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3/c1-2-15-40-39(14-1)41-20-18-33(32-10-3-11-34(26-32)37-16-4-8-30-12-6-23-49-46(30)37)27-43(41)42-21-19-36(28-44(40)42)45-29-35(22-25-48-45)38-17-5-9-31-13-7-24-50-47(31)38/h1-29H.
What are the key properties of 8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline?
8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline has a molecular weight of 635.77 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline is sourced from PubChem (CID 167027860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).