osmium;bis(4-(4-perylen-3-ylphenyl)-2,6-dipyridin-2-ylpyridine)

C82H50N6Os — CID 170925486

IUPACosmium;bis(4-(4-perylen-3-ylphenyl)-2,6-dipyridin-2-ylpyridine)
SMILES[Os].c1ccc(-c2cc(-c3ccc(-c4ccc5c6cccc7cccc(c8cccc4c85)c76)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccc(-c4ccc5c6cccc7cccc(c8cccc4c85)c76)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C41H25N3.Os/c2*1-3-22-42-36(14-1)38-24-29(25-39(44-38)37-15-2-4-23-43-37)26-16-18-27(19-17-26)30-20-21-35-33-11-6-9-28-8-5-10-32(40(28)33)34-13-7-12-31(30)41(34)35;/h2*1-25H;
InChIKeyDAJKBWZXJJAIOJ-UHFFFAOYSA-N
MW1309.57 g/mol
LogP21.18
Rot. Bonds8

About osmium;bis(4-(4-perylen-3-ylphenyl)-2,6-dipyridin-2-ylpyridine)

osmium;bis(4-(4-perylen-3-ylphenyl)-2,6-dipyridin-2-ylpyridine) (PubChem CID 170925486) has the molecular formula C82H50N6Os and a molecular weight of 1309.57 g/mol. Its IUPAC name is osmium;bis(4-(4-perylen-3-ylphenyl)-2,6-dipyridin-2-ylpyridine).

Molecular Properties

Compound Nameosmium;bis(4-(4-perylen-3-ylphenyl)-2,6-dipyridin-2-ylpyridine)
PubChem CID170925486
Molecular FormulaC82H50N6Os
Molecular Weight1309.57 g/mol
Exact Mass1310.37
IUPAC Nameosmium;bis(4-(4-perylen-3-ylphenyl)-2,6-dipyridin-2-ylpyridine)
SMILES[Os].c1ccc(-c2cc(-c3ccc(-c4ccc5c6cccc7cccc(c8cccc4c85)c76)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccc(-c4ccc5c6cccc7cccc(c8cccc4c85)c76)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C41H25N3.Os/c2*1-3-22-42-36(14-1)38-24-29(25-39(44-38)37-15-2-4-23-43-37)26-16-18-27(19-17-26)30-20-21-35-33-11-6-9-28-8-5-10-32(40(28)33)34-13-7-12-31(30)41(34)35;/h2*1-25H;
InChIKeyDAJKBWZXJJAIOJ-UHFFFAOYSA-N
XLogP21.18
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001309.57
LogP ≤ 521.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine
CID 175635810
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
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364714
6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine
CID 146802959
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
4-[10-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-9-yl]-2,6-dipyridin-2-ylpyridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine;2,4,6-tripyridin-2-ylpyridine
CID 161380228
4-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 118314559
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
2-(6-naphthalen-2-ylpyren-1-yl)pyridine
CID 118652991

Frequently Asked Questions

What is the IUPAC name of osmium;bis(4-(4-perylen-3-ylphenyl)-2,6-dipyridin-2-ylpyridine)?
The IUPAC name of osmium;bis(4-(4-perylen-3-ylphenyl)-2,6-dipyridin-2-ylpyridine) (CID 170925486) is osmium;bis(4-(4-perylen-3-ylphenyl)-2,6-dipyridin-2-ylpyridine).
What is the SMILES notation for osmium;bis(4-(4-perylen-3-ylphenyl)-2,6-dipyridin-2-ylpyridine)?
The canonical SMILES for osmium;bis(4-(4-perylen-3-ylphenyl)-2,6-dipyridin-2-ylpyridine) is [Os].c1ccc(-c2cc(-c3ccc(-c4ccc5c6cccc7cccc(c8cccc4c85)c76)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccc(-c4ccc5c6cccc7cccc(c8cccc4c85)c76)cc3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of osmium;bis(4-(4-perylen-3-ylphenyl)-2,6-dipyridin-2-ylpyridine)?
The InChIKey is DAJKBWZXJJAIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C41H25N3.Os/c2*1-3-22-42-36(14-1)38-24-29(25-39(44-38)37-15-2-4-23-43-37)26-16-18-27(19-17-26)30-20-21-35-33-11-6-9-28-8-5-10-32(40(28)33)34-13-7-12-31(30)41(34)35;/h2*1-25H;.
What are the key properties of osmium;bis(4-(4-perylen-3-ylphenyl)-2,6-dipyridin-2-ylpyridine)?
osmium;bis(4-(4-perylen-3-ylphenyl)-2,6-dipyridin-2-ylpyridine) has a molecular weight of 1309.57 g/mol, XLogP of 21.18, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for osmium;bis(4-(4-perylen-3-ylphenyl)-2,6-dipyridin-2-ylpyridine) is sourced from PubChem (CID 170925486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).