5-pyren-1-yl-2-(5-pyren-1-yl-2-pyridinyl)pyridine

C42H24N2 — CID 102448459

IUPAC5-pyren-1-yl-2-(5-pyren-1-yl-2-pyridinyl)pyridine
SMILESc1cc2ccc3ccc(-c4ccc(-c5ccc(-c6ccc7ccc8cccc9ccc6c7c89)cn5)nc4)c4ccc(c1)c2c34
InChIInChI=1S/C42H24N2/c1-3-25-7-9-29-11-17-33(35-19-13-27(5-1)39(25)41(29)35)31-15-21-37(43-23-31)38-22-16-32(24-44-38)34-18-12-30-10-8-26-4-2-6-28-14-20-36(34)42(30)40(26)28/h1-24H
InChIKeyJPBGIXDWMSFAJG-UHFFFAOYSA-N
MW556.67 g/mol
LogP11.27
Rot. Bonds3

About 5-pyren-1-yl-2-(5-pyren-1-yl-2-pyridinyl)pyridine

5-pyren-1-yl-2-(5-pyren-1-yl-2-pyridinyl)pyridine (PubChem CID 102448459) has the molecular formula C42H24N2 and a molecular weight of 556.67 g/mol. Its IUPAC name is 5-pyren-1-yl-2-(5-pyren-1-yl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name5-pyren-1-yl-2-(5-pyren-1-yl-2-pyridinyl)pyridine
PubChem CID102448459
Molecular FormulaC42H24N2
Molecular Weight556.67 g/mol
Exact Mass556.19
IUPAC Name5-pyren-1-yl-2-(5-pyren-1-yl-2-pyridinyl)pyridine
SMILESc1cc2ccc3ccc(-c4ccc(-c5ccc(-c6ccc7ccc8cccc9ccc6c7c89)cn5)nc4)c4ccc(c1)c2c34
InChIInChI=1S/C42H24N2/c1-3-25-7-9-29-11-17-33(35-19-13-27(5-1)39(25)41(29)35)31-15-21-37(43-23-31)38-22-16-32(24-44-38)34-18-12-30-10-8-26-4-2-6-28-14-20-36(34)42(30)40(26)28/h1-24H
InChIKeyJPBGIXDWMSFAJG-UHFFFAOYSA-N
XLogP11.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.67
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-5-pyren-1-ylpyridine
CID 88868980
3-pyren-1-ylpyridine
CID 58924967
1,8-di(pyren-1-yl)pyrene
CID 58915622
2-phenyl-9-(4-pyren-1-ylphenyl)-1,10-phenanthroline
CID 121460965
4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine
CID 175635810
1-(6-pyren-1-ylphenanthren-3-yl)pyrene
CID 142721789
tetrakis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-5-pyren-1-ylpyridine);bis(chloroiridium(2+))
CID 54699058
1-[2,4,5-tri(pyren-1-yl)phenyl]pyrene;1-[4-[2,4,5-tris(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 162207927
1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
1-(3-bromo-5-pyren-1-ylphenyl)pyrene
CID 71424737
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

Frequently Asked Questions

What is the IUPAC name of 5-pyren-1-yl-2-(5-pyren-1-yl-2-pyridinyl)pyridine?
The IUPAC name of 5-pyren-1-yl-2-(5-pyren-1-yl-2-pyridinyl)pyridine (CID 102448459) is 5-pyren-1-yl-2-(5-pyren-1-yl-2-pyridinyl)pyridine.
What is the SMILES notation for 5-pyren-1-yl-2-(5-pyren-1-yl-2-pyridinyl)pyridine?
The canonical SMILES for 5-pyren-1-yl-2-(5-pyren-1-yl-2-pyridinyl)pyridine is c1cc2ccc3ccc(-c4ccc(-c5ccc(-c6ccc7ccc8cccc9ccc6c7c89)cn5)nc4)c4ccc(c1)c2c34.
What is the InChIKey of 5-pyren-1-yl-2-(5-pyren-1-yl-2-pyridinyl)pyridine?
The InChIKey is JPBGIXDWMSFAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N2/c1-3-25-7-9-29-11-17-33(35-19-13-27(5-1)39(25)41(29)35)31-15-21-37(43-23-31)38-22-16-32(24-44-38)34-18-12-30-10-8-26-4-2-6-28-14-20-36(34)42(30)40(26)28/h1-24H.
What are the key properties of 5-pyren-1-yl-2-(5-pyren-1-yl-2-pyridinyl)pyridine?
5-pyren-1-yl-2-(5-pyren-1-yl-2-pyridinyl)pyridine has a molecular weight of 556.67 g/mol, XLogP of 11.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyren-1-yl-2-(5-pyren-1-yl-2-pyridinyl)pyridine is sourced from PubChem (CID 102448459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).