2-pyridin-3-yl-9-[6-(4-pyridin-2-ylphenyl)pyren-1-yl]-1,10-phenanthroline

C44H26N4 — CID 134167800

IUPAC2-pyridin-3-yl-9-[6-(4-pyridin-2-ylphenyl)pyren-1-yl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc(-c3ccc4ccc5c(-c6ccc7ccc8ccc(-c9cccnc9)nc8c7n6)ccc6ccc3c4c65)cc2)nc1
InChIInChI=1S/C44H26N4/c1-2-25-46-38(5-1)28-8-6-27(7-9-28)34-18-12-29-15-21-37-35(19-13-30-14-20-36(34)41(29)42(30)37)40-23-17-32-11-10-31-16-22-39(33-4-3-24-45-26-33)47-43(31)44(32)48-40/h1-26H
InChIKeyZWTZEGKGAPXTKA-UHFFFAOYSA-N
MW610.72 g/mol
LogP11.14
Rot. Bonds4

About 2-pyridin-3-yl-9-[6-(4-pyridin-2-ylphenyl)pyren-1-yl]-1,10-phenanthroline

2-pyridin-3-yl-9-[6-(4-pyridin-2-ylphenyl)pyren-1-yl]-1,10-phenanthroline (PubChem CID 134167800) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 2-pyridin-3-yl-9-[6-(4-pyridin-2-ylphenyl)pyren-1-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-pyridin-3-yl-9-[6-(4-pyridin-2-ylphenyl)pyren-1-yl]-1,10-phenanthroline
PubChem CID134167800
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name2-pyridin-3-yl-9-[6-(4-pyridin-2-ylphenyl)pyren-1-yl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc(-c3ccc4ccc5c(-c6ccc7ccc8ccc(-c9cccnc9)nc8c7n6)ccc6ccc3c4c65)cc2)nc1
InChIInChI=1S/C44H26N4/c1-2-25-46-38(5-1)28-8-6-27(7-9-28)34-18-12-29-15-21-37-35(19-13-30-14-20-36(34)41(29)42(30)37)40-23-17-32-11-10-31-16-22-39(33-4-3-24-45-26-33)47-43(31)44(32)48-40/h1-26H
InChIKeyZWTZEGKGAPXTKA-UHFFFAOYSA-N
XLogP11.14
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-N-[6-[9-(4-pyridin-2-ylphenyl)-1,10-phenanthrolin-2-yl]pyren-1-yl]pyridin-3-amine
CID 134167842
3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine
CID 144553841
2-pyridin-3-yl-9-(6-quinolin-3-ylpyren-1-yl)-1,10-phenanthroline
CID 134167770
2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 171732044
(Z)-hex-3-ene;N-methylethanimine;2-[4-(8-pyridin-3-ylpyren-1-yl)phenyl]pyridine
CID 144553838
2-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline
CID 134167395
2-fluoranthen-3-yl-9-(4-pyridin-3-ylphenyl)-1,10-phenanthroline
CID 134167339
2-phenyl-9-(4-pyren-1-ylphenyl)-1,10-phenanthroline
CID 121460965
2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
CID 134167551
(Z)-but-2-ene;ethanimine;5-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]pyrimidine
CID 144553966
2-phenyl-9-(6-pyren-1-yl-2-pyridinyl)-1,10-phenanthroline
CID 121277741
6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline
CID 144554033

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-9-[6-(4-pyridin-2-ylphenyl)pyren-1-yl]-1,10-phenanthroline?
The IUPAC name of 2-pyridin-3-yl-9-[6-(4-pyridin-2-ylphenyl)pyren-1-yl]-1,10-phenanthroline (CID 134167800) is 2-pyridin-3-yl-9-[6-(4-pyridin-2-ylphenyl)pyren-1-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-pyridin-3-yl-9-[6-(4-pyridin-2-ylphenyl)pyren-1-yl]-1,10-phenanthroline?
The canonical SMILES for 2-pyridin-3-yl-9-[6-(4-pyridin-2-ylphenyl)pyren-1-yl]-1,10-phenanthroline is c1ccc(-c2ccc(-c3ccc4ccc5c(-c6ccc7ccc8ccc(-c9cccnc9)nc8c7n6)ccc6ccc3c4c65)cc2)nc1.
What is the InChIKey of 2-pyridin-3-yl-9-[6-(4-pyridin-2-ylphenyl)pyren-1-yl]-1,10-phenanthroline?
The InChIKey is ZWTZEGKGAPXTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c1-2-25-46-38(5-1)28-8-6-27(7-9-28)34-18-12-29-15-21-37-35(19-13-30-14-20-36(34)41(29)42(30)37)40-23-17-32-11-10-31-16-22-39(33-4-3-24-45-26-33)47-43(31)44(32)48-40/h1-26H.
What are the key properties of 2-pyridin-3-yl-9-[6-(4-pyridin-2-ylphenyl)pyren-1-yl]-1,10-phenanthroline?
2-pyridin-3-yl-9-[6-(4-pyridin-2-ylphenyl)pyren-1-yl]-1,10-phenanthroline has a molecular weight of 610.72 g/mol, XLogP of 11.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-9-[6-(4-pyridin-2-ylphenyl)pyren-1-yl]-1,10-phenanthroline is sourced from PubChem (CID 134167800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).