6-[2,6-di(anthracen-2-yl)-4-pyridinyl]isoquinoline

C42H26N2 — CID 154599146

IUPAC6-[2,6-di(anthracen-2-yl)-4-pyridinyl]isoquinoline
SMILESc1ccc2cc3cc(-c4cc(-c5ccc6cnccc6c5)cc(-c5ccc6cc7ccccc7cc6c5)n4)ccc3cc2c1
InChIInChI=1S/C42H26N2/c1-3-7-29-20-38-22-35(12-9-31(38)17-27(29)5-1)41-24-40(33-11-14-37-26-43-16-15-34(37)19-33)25-42(44-41)36-13-10-32-18-28-6-2-4-8-30(28)21-39(32)23-36/h1-26H
InChIKeyYFZIZEPNLQHJOQ-UHFFFAOYSA-N
MW558.68 g/mol
LogP11.24
Rot. Bonds3

About 6-[2,6-di(anthracen-2-yl)-4-pyridinyl]isoquinoline

6-[2,6-di(anthracen-2-yl)-4-pyridinyl]isoquinoline (PubChem CID 154599146) has the molecular formula C42H26N2 and a molecular weight of 558.68 g/mol. Its IUPAC name is 6-[2,6-di(anthracen-2-yl)-4-pyridinyl]isoquinoline.

Molecular Properties

Compound Name6-[2,6-di(anthracen-2-yl)-4-pyridinyl]isoquinoline
PubChem CID154599146
Molecular FormulaC42H26N2
Molecular Weight558.68 g/mol
Exact Mass558.21
IUPAC Name6-[2,6-di(anthracen-2-yl)-4-pyridinyl]isoquinoline
SMILESc1ccc2cc3cc(-c4cc(-c5ccc6cnccc6c5)cc(-c5ccc6cc7ccccc7cc6c5)n4)ccc3cc2c1
InChIInChI=1S/C42H26N2/c1-3-7-29-20-38-22-35(12-9-31(38)17-27(29)5-1)41-24-40(33-11-14-37-26-43-16-15-34(37)19-33)25-42(44-41)36-13-10-32-18-28-6-2-4-8-30(28)21-39(32)23-36/h1-26H
InChIKeyYFZIZEPNLQHJOQ-UHFFFAOYSA-N
XLogP11.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.68
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6-[2,6-di(anthracen-2-yl)-4-pyridinyl]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4-anthracen-2-yl-6-isoquinolin-7-yl-2-pyridinyl)isoquinoline
CID 154599160
6-(2-anthracen-2-yl-6-isoquinolin-6-ylpyrimidin-4-yl)isoquinoline
CID 154599114
6-[2,6-di(anthracen-9-yl)-4-pyridinyl]isoquinoline
CID 154599243
6-naphthalen-2-ylisoquinoline
CID 59724414
2,6-dinaphthalen-2-yl-4-(4-pyridin-3-ylphenyl)pyridine
CID 122427561
9-azaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-heptadecaene
CID 91751532
7-[4-[3,5-bis(3-naphthalen-2-ylphenyl)phenyl]-6-isoquinolin-7-yl-1,3,5-triazin-2-yl]isoquinoline
CID 118582433
2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenylpyridine
CID 141475623
5-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]pyrimidine
CID 129292671
4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 157079561
2-(3,5-dipyridin-4-ylphenyl)-4,6-dinaphthalen-2-ylpyrimidine
CID 118582461
6-(3-fluoranthen-3-ylphenyl)isoquinoline
CID 121287554

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-di(anthracen-2-yl)-4-pyridinyl]isoquinoline?
The IUPAC name of 6-[2,6-di(anthracen-2-yl)-4-pyridinyl]isoquinoline (CID 154599146) is 6-[2,6-di(anthracen-2-yl)-4-pyridinyl]isoquinoline.
What is the SMILES notation for 6-[2,6-di(anthracen-2-yl)-4-pyridinyl]isoquinoline?
The canonical SMILES for 6-[2,6-di(anthracen-2-yl)-4-pyridinyl]isoquinoline is c1ccc2cc3cc(-c4cc(-c5ccc6cnccc6c5)cc(-c5ccc6cc7ccccc7cc6c5)n4)ccc3cc2c1.
What is the InChIKey of 6-[2,6-di(anthracen-2-yl)-4-pyridinyl]isoquinoline?
The InChIKey is YFZIZEPNLQHJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2/c1-3-7-29-20-38-22-35(12-9-31(38)17-27(29)5-1)41-24-40(33-11-14-37-26-43-16-15-34(37)19-33)25-42(44-41)36-13-10-32-18-28-6-2-4-8-30(28)21-39(32)23-36/h1-26H.
What are the key properties of 6-[2,6-di(anthracen-2-yl)-4-pyridinyl]isoquinoline?
6-[2,6-di(anthracen-2-yl)-4-pyridinyl]isoquinoline has a molecular weight of 558.68 g/mol, XLogP of 11.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-di(anthracen-2-yl)-4-pyridinyl]isoquinoline is sourced from PubChem (CID 154599146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).