2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline

C39H23N3 — CID 134167551

IUPAC2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8cccc9ccc6c7c89)c5)nc4c3n2)nc1
InChIInChI=1S/C39H23N3/c1-2-22-40-34(9-1)35-21-17-28-13-12-27-16-20-33(41-38(27)39(28)42-35)30-8-4-7-29(23-30)31-18-14-26-11-10-24-5-3-6-25-15-19-32(31)37(26)36(24)25/h1-23H
InChIKeyWQJNNZVLEQHFSS-UHFFFAOYSA-N
MW533.63 g/mol
LogP10.08
Rot. Bonds3

About 2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline

2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline (PubChem CID 134167551) has the molecular formula C39H23N3 and a molecular weight of 533.63 g/mol. Its IUPAC name is 2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
PubChem CID134167551
Molecular FormulaC39H23N3
Molecular Weight533.63 g/mol
Exact Mass533.19
IUPAC Name2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8cccc9ccc6c7c89)c5)nc4c3n2)nc1
InChIInChI=1S/C39H23N3/c1-2-22-40-34(9-1)35-21-17-28-13-12-27-16-20-33(41-38(27)39(28)42-35)30-8-4-7-29(23-30)31-18-14-26-11-10-24-5-3-6-25-15-19-32(31)37(26)36(24)25/h1-23H
InChIKeyWQJNNZVLEQHFSS-UHFFFAOYSA-N
XLogP10.08
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.63
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline 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-[3-(4-pyren-1-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 166685234
2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167567
2-phenyl-9-(6-pyren-1-yl-2-pyridinyl)-1,10-phenanthroline
CID 121277741
2-phenyl-9-(4-pyren-1-ylphenyl)-1,10-phenanthroline
CID 121460965
4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine
CID 175635810
2-[4-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 88865382
2-[4-[3-(5-pyren-1-ylthiophen-2-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 166509153
2-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-triphenylen-2-yl-1,10-phenanthroline
CID 134167397
2-[3-(2,4-dipyridin-2-ylquinazolin-8-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline
CID 176785327
8-[4-[6-[4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline
CID 146230655
2-pyridin-3-yl-9-[6-(4-pyridin-2-ylphenyl)pyren-1-yl]-1,10-phenanthroline
CID 134167800
6-phenyl-2-(4-pyren-1-ylphenyl)-1,10-phenanthroline
CID 118861981

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline?
The IUPAC name of 2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline (CID 134167551) is 2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline.
What is the SMILES notation for 2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline?
The canonical SMILES for 2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8cccc9ccc6c7c89)c5)nc4c3n2)nc1.
What is the InChIKey of 2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline?
The InChIKey is WQJNNZVLEQHFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N3/c1-2-22-40-34(9-1)35-21-17-28-13-12-27-16-20-33(41-38(27)39(28)42-35)30-8-4-7-29(23-30)31-18-14-26-11-10-24-5-3-6-25-15-19-32(31)37(26)36(24)25/h1-23H.
What are the key properties of 2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline?
2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline has a molecular weight of 533.63 g/mol, XLogP of 10.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline is sourced from PubChem (CID 134167551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).