4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine

C37H23N3 — CID 175635810

IUPAC4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C37H23N3/c1-3-20-38-32(8-1)34-22-29(23-35(40-34)33-9-2-4-21-39-33)24-10-12-25(13-11-24)30-18-16-28-15-14-26-6-5-7-27-17-19-31(30)37(28)36(26)27/h1-23H
InChIKeyUSCQOUUHLRYDHT-UHFFFAOYSA-N
MW509.61 g/mol
LogP9.44
Rot. Bonds4

About 4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine

4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine (PubChem CID 175635810) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine
PubChem CID175635810
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C37H23N3/c1-3-20-38-32(8-1)34-22-29(23-35(40-34)33-9-2-4-21-39-33)24-10-12-25(13-11-24)30-18-16-28-15-14-26-6-5-7-27-17-19-31(30)37(28)36(26)27/h1-23H
InChIKeyUSCQOUUHLRYDHT-UHFFFAOYSA-N
XLogP9.44
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 59.44
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

4-[3-(4-pyren-1-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 166685234
4-[4-[2-(2-pyren-1-ylphenyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 166684989
osmium;bis(4-(4-perylen-3-ylphenyl)-2,6-dipyridin-2-ylpyridine)
CID 170925486
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
2-(6-naphthalen-2-ylpyren-1-yl)pyridine
CID 118652991
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364714
6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline
CID 144554033
2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
CID 134167551
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
1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 167610604
4-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 118314559
4-[4-(12-phenylchrysen-6-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 155655346

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine (CID 175635810) is 4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine is c1ccc(-c2cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine?
The InChIKey is USCQOUUHLRYDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c1-3-20-38-32(8-1)34-22-29(23-35(40-34)33-9-2-4-21-39-33)24-10-12-25(13-11-24)30-18-16-28-15-14-26-6-5-7-27-17-19-31(30)37(28)36(26)27/h1-23H.
What are the key properties of 4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine?
4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine has a molecular weight of 509.61 g/mol, XLogP of 9.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 175635810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).