4-(7-phenyl-3-pyridin-4-ylpyren-1-yl)pyridine

C32H20N2 — CID 58028964

IUPAC4-(7-phenyl-3-pyridin-4-ylpyren-1-yl)pyridine
SMILESc1ccc(-c2cc3ccc4c(-c5ccncc5)cc(-c5ccncc5)c5ccc(c2)c3c45)cc1
InChIInChI=1S/C32H20N2/c1-2-4-21(5-3-1)26-18-24-6-8-27-29(22-10-14-33-15-11-22)20-30(23-12-16-34-17-13-23)28-9-7-25(19-26)31(24)32(27)28/h1-20H
InChIKeyVNCDMKBFRQGCKG-UHFFFAOYSA-N
MW432.53 g/mol
LogP8.38
Rot. Bonds3

About 4-(7-phenyl-3-pyridin-4-ylpyren-1-yl)pyridine

4-(7-phenyl-3-pyridin-4-ylpyren-1-yl)pyridine (PubChem CID 58028964) has the molecular formula C32H20N2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-(7-phenyl-3-pyridin-4-ylpyren-1-yl)pyridine.

Molecular Properties

Compound Name4-(7-phenyl-3-pyridin-4-ylpyren-1-yl)pyridine
PubChem CID58028964
Molecular FormulaC32H20N2
Molecular Weight432.53 g/mol
Exact Mass432.16
IUPAC Name4-(7-phenyl-3-pyridin-4-ylpyren-1-yl)pyridine
SMILESc1ccc(-c2cc3ccc4c(-c5ccncc5)cc(-c5ccncc5)c5ccc(c2)c3c45)cc1
InChIInChI=1S/C32H20N2/c1-2-4-21(5-3-1)26-18-24-6-8-27-29(22-10-14-33-15-11-22)20-30(23-12-16-34-17-13-23)28-9-7-25(19-26)31(24)32(27)28/h1-20H
InChIKeyVNCDMKBFRQGCKG-UHFFFAOYSA-N
XLogP8.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 58.38
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-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine
CID 58028909
6,12-diphenyl-14-pyridin-4-yl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene
CID 70830700
1-phenyl-3,6,8-tris(4-phenylphenyl)pyrene
CID 59391253
2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine
CID 157121203
2,7-diphenylbenzo[e]pyrene;1,3,6,8-tetraphenylpyrene;2-(3,6,8-tripyridin-2-ylpyren-1-yl)pyridine
CID 158692586
4-[4-[2,4-diphenyl-5-(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
CID 67990612
1-(3,5-diphenylphenyl)-3-methyl-7-phenylpyrene
CID 123596512
deuteride;1,3,6,8-tetraphenylpyrene
CID 159757384
1,3,6-tris(4-phenylphenyl)pyrene
CID 123689600
4-(4-phenylphenyl)-6-(4-pyren-1-ylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidine
CID 130264041
2-phenyl-4-(4-pyren-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130263646
1-phenyl-3,6,8-tris(3-phenylphenyl)pyrene
CID 59391073

Frequently Asked Questions

What is the IUPAC name of 4-(7-phenyl-3-pyridin-4-ylpyren-1-yl)pyridine?
The IUPAC name of 4-(7-phenyl-3-pyridin-4-ylpyren-1-yl)pyridine (CID 58028964) is 4-(7-phenyl-3-pyridin-4-ylpyren-1-yl)pyridine.
What is the SMILES notation for 4-(7-phenyl-3-pyridin-4-ylpyren-1-yl)pyridine?
The canonical SMILES for 4-(7-phenyl-3-pyridin-4-ylpyren-1-yl)pyridine is c1ccc(-c2cc3ccc4c(-c5ccncc5)cc(-c5ccncc5)c5ccc(c2)c3c45)cc1.
What is the InChIKey of 4-(7-phenyl-3-pyridin-4-ylpyren-1-yl)pyridine?
The InChIKey is VNCDMKBFRQGCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2/c1-2-4-21(5-3-1)26-18-24-6-8-27-29(22-10-14-33-15-11-22)20-30(23-12-16-34-17-13-23)28-9-7-25(19-26)31(24)32(27)28/h1-20H.
What are the key properties of 4-(7-phenyl-3-pyridin-4-ylpyren-1-yl)pyridine?
4-(7-phenyl-3-pyridin-4-ylpyren-1-yl)pyridine has a molecular weight of 432.53 g/mol, XLogP of 8.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-phenyl-3-pyridin-4-ylpyren-1-yl)pyridine is sourced from PubChem (CID 58028964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).