4-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine

C41H27N3 — CID 166685007

IUPAC4-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccccc3-c3cc4ccccc4c4ccccc34)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C41H27N3/c1-2-14-30-28(13-1)25-37(35-19-7-5-16-32(30)35)36-20-8-6-18-34(36)33-17-4-3-15-31(33)29-26-40(38-21-9-11-23-42-38)44-41(27-29)39-22-10-12-24-43-39/h1-27H
InChIKeySMQGWQYEIVAAAH-UHFFFAOYSA-N
MW561.69 g/mol
LogP10.51
Rot. Bonds5

About 4-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine

4-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine (PubChem CID 166685007) has the molecular formula C41H27N3 and a molecular weight of 561.69 g/mol. Its IUPAC name is 4-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
PubChem CID166685007
Molecular FormulaC41H27N3
Molecular Weight561.69 g/mol
Exact Mass561.22
IUPAC Name4-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccccc3-c3cc4ccccc4c4ccccc34)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C41H27N3/c1-2-14-30-28(13-1)25-37(35-19-7-5-16-32(30)35)36-20-8-6-18-34(36)33-17-4-3-15-31(33)29-26-40(38-21-9-11-23-42-38)44-41(27-29)39-22-10-12-24-43-39/h1-27H
InChIKeySMQGWQYEIVAAAH-UHFFFAOYSA-N
XLogP10.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.69
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine 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

4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine
CID 166685120
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364714
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile
CID 162110199
4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine
CID 166685143
4-[4-(12-phenylchrysen-6-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 155655346
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257
2,6-dipyridin-2-yl-4-[4-(3-pyridin-2-yl-5-pyridin-4-ylphenyl)naphthalen-1-yl]pyridine
CID 126730917
5-anthracen-1-yl-2-pyridin-2-ylpyridine
CID 58813785
4-[4-[2-(2-pyren-1-ylphenyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 166684989
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine (CID 166685007) is 4-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine is c1ccc(-c2cc(-c3ccccc3-c3ccccc3-c3cc4ccccc4c4ccccc34)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 4-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is SMQGWQYEIVAAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3/c1-2-14-30-28(13-1)25-37(35-19-7-5-16-32(30)35)36-20-8-6-18-34(36)33-17-4-3-15-31(33)29-26-40(38-21-9-11-23-42-38)44-41(27-29)39-22-10-12-24-43-39/h1-27H.
What are the key properties of 4-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine?
4-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 561.69 g/mol, XLogP of 10.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 166685007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).