1-phenylpyreno[1,2-b]pyridine

C25H15N — CID 89296855

IUPAC1-phenylpyreno[1,2-b]pyridine
SMILESc1ccc(-c2ccc3ccc4cc5cccnc5c5ccc2c3c45)cc1
InChIInChI=1S/C25H15N/c1-2-5-16(6-3-1)20-11-10-17-8-9-18-15-19-7-4-14-26-25(19)22-13-12-21(20)23(17)24(18)22/h1-15H
InChIKeyUHURSRMGTYGXQF-UHFFFAOYSA-N
MW329.40 g/mol
LogP6.80
Rot. Bonds1

About 1-phenylpyreno[1,2-b]pyridine

1-phenylpyreno[1,2-b]pyridine (PubChem CID 89296855) has the molecular formula C25H15N and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-phenylpyreno[1,2-b]pyridine.

Molecular Properties

Compound Name1-phenylpyreno[1,2-b]pyridine
PubChem CID89296855
Molecular FormulaC25H15N
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC Name1-phenylpyreno[1,2-b]pyridine
SMILESc1ccc(-c2ccc3ccc4cc5cccnc5c5ccc2c3c45)cc1
InChIInChI=1S/C25H15N/c1-2-5-16(6-3-1)20-11-10-17-8-9-18-15-19-7-4-14-26-25(19)22-13-12-21(20)23(17)24(18)22/h1-15H
InChIKeyUHURSRMGTYGXQF-UHFFFAOYSA-N
XLogP6.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

3,18-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1,3,5,7,9(23),10,12(24),13,15,17,19,21-dodecaene
CID 27931
6-phenyl-2-(4-pyren-1-ylphenyl)-1,10-phenanthroline
CID 118861981
8-[4-phenyl-6-[6-(4-phenyl-6-quinolin-8-yl-1,3,5-triazin-2-yl)pyren-1-yl]-1,3,5-triazin-2-yl]quinoline
CID 146230600
5-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 167411452
7-(3,5-diphenylphenyl)benzo[h]quinoline
CID 140719025
6-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[h]quinoline
CID 149456781
6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline
CID 148799721
1,3,6-tris(4-phenylphenyl)pyrene
CID 123689600
8,9-diphenylpyreno[1,2-b]pyridine
CID 139095285
1-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997
1,6-bis(3,5-diphenylphenyl)pyrene
CID 59133444
2-phenyl-4-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]-1,10-phenanthroline
CID 155006745

Frequently Asked Questions

What is the IUPAC name of 1-phenylpyreno[1,2-b]pyridine?
The IUPAC name of 1-phenylpyreno[1,2-b]pyridine (CID 89296855) is 1-phenylpyreno[1,2-b]pyridine.
What is the SMILES notation for 1-phenylpyreno[1,2-b]pyridine?
The canonical SMILES for 1-phenylpyreno[1,2-b]pyridine is c1ccc(-c2ccc3ccc4cc5cccnc5c5ccc2c3c45)cc1.
What is the InChIKey of 1-phenylpyreno[1,2-b]pyridine?
The InChIKey is UHURSRMGTYGXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N/c1-2-5-16(6-3-1)20-11-10-17-8-9-18-15-19-7-4-14-26-25(19)22-13-12-21(20)23(17)24(18)22/h1-15H.
What are the key properties of 1-phenylpyreno[1,2-b]pyridine?
1-phenylpyreno[1,2-b]pyridine has a molecular weight of 329.40 g/mol, XLogP of 6.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyreno[1,2-b]pyridine is sourced from PubChem (CID 89296855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).