2-benzo[a]anthracen-7-ylpyridine

C23H15N — CID 154825161

IUPAC2-benzo[a]anthracen-7-ylpyridine
SMILESc1ccc(-c2c3ccccc3cc3c2ccc2ccccc23)nc1
InChIInChI=1S/C23H15N/c1-3-9-18-16(7-1)12-13-20-21(18)15-17-8-2-4-10-19(17)23(20)22-11-5-6-14-24-22/h1-15H
InChIKeyKMZUFBPHDCLVFP-UHFFFAOYSA-N
MW305.38 g/mol
LogP6.21
Rot. Bonds1

About 2-benzo[a]anthracen-7-ylpyridine

2-benzo[a]anthracen-7-ylpyridine (PubChem CID 154825161) has the molecular formula C23H15N and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-benzo[a]anthracen-7-ylpyridine.

Molecular Properties

Compound Name2-benzo[a]anthracen-7-ylpyridine
PubChem CID154825161
Molecular FormulaC23H15N
Molecular Weight305.38 g/mol
Exact Mass305.12
IUPAC Name2-benzo[a]anthracen-7-ylpyridine
SMILESc1ccc(-c2c3ccccc3cc3c2ccc2ccccc23)nc1
InChIInChI=1S/C23H15N/c1-3-9-18-16(7-1)12-13-20-21(18)15-17-8-2-4-10-19(17)23(20)22-11-5-6-14-24-22/h1-15H
InChIKeyKMZUFBPHDCLVFP-UHFFFAOYSA-N
XLogP6.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 56.21
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

2-anthracen-9-yl-9-pyridin-2-yl-1,10-phenanthroline
CID 171732364
2-(22-pyridin-2-yl-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl)pyridine
CID 58738539
2-(1-pyridin-2-ylanthracen-2-yl)pyridine
CID 19367617
2-(3,4-dipyridin-2-ylnaphthalen-2-yl)pyrimidine
CID 138982228
2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-7-yl)pyridine
CID 176787817
4-benzo[a]anthracen-7-yl-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 167249851
2-[6-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-2-ylpyridine
CID 89177926
2-(2-methoxynaphthalen-1-yl)pyridine
CID 71446434
2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline
CID 89023621
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 118487428
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286

Frequently Asked Questions

What is the IUPAC name of 2-benzo[a]anthracen-7-ylpyridine?
The IUPAC name of 2-benzo[a]anthracen-7-ylpyridine (CID 154825161) is 2-benzo[a]anthracen-7-ylpyridine.
What is the SMILES notation for 2-benzo[a]anthracen-7-ylpyridine?
The canonical SMILES for 2-benzo[a]anthracen-7-ylpyridine is c1ccc(-c2c3ccccc3cc3c2ccc2ccccc23)nc1.
What is the InChIKey of 2-benzo[a]anthracen-7-ylpyridine?
The InChIKey is KMZUFBPHDCLVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N/c1-3-9-18-16(7-1)12-13-20-21(18)15-17-8-2-4-10-19(17)23(20)22-11-5-6-14-24-22/h1-15H.
What are the key properties of 2-benzo[a]anthracen-7-ylpyridine?
2-benzo[a]anthracen-7-ylpyridine has a molecular weight of 305.38 g/mol, XLogP of 6.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[a]anthracen-7-ylpyridine is sourced from PubChem (CID 154825161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).