3-(2-chlorophenyl)phenanthro[9,10-b]pyridine

C23H14ClN — CID 167363061

IUPAC3-(2-chlorophenyl)phenanthro[9,10-b]pyridine
SMILESClc1ccccc1-c1cnc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C23H14ClN/c24-22-12-6-5-7-16(22)15-13-21-19-10-2-1-8-17(19)18-9-3-4-11-20(18)23(21)25-14-15/h1-14H
InChIKeyZDVXCVXPGCZFBR-UHFFFAOYSA-N
MW339.83 g/mol
LogP6.86
Rot. Bonds1

About 3-(2-chlorophenyl)phenanthro[9,10-b]pyridine

3-(2-chlorophenyl)phenanthro[9,10-b]pyridine (PubChem CID 167363061) has the molecular formula C23H14ClN and a molecular weight of 339.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)phenanthro[9,10-b]pyridine.

Molecular Properties

Compound Name3-(2-chlorophenyl)phenanthro[9,10-b]pyridine
PubChem CID167363061
Molecular FormulaC23H14ClN
Molecular Weight339.83 g/mol
Exact Mass339.08
IUPAC Name3-(2-chlorophenyl)phenanthro[9,10-b]pyridine
SMILESClc1ccccc1-c1cnc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C23H14ClN/c24-22-12-6-5-7-16(22)15-13-21-19-10-2-1-8-17(19)18-9-3-4-11-20(18)23(21)25-14-15/h1-14H
InChIKeyZDVXCVXPGCZFBR-UHFFFAOYSA-N
XLogP6.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.83
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Naphtho(2,1,8-def)quinoline
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CID 10183196
4-[[4-[4-(2-Chlorophenyl)-5,7-dimethyl-6-quinolyl]phenyl]methyl]morpholine
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4-Azachrysene
CID 9174

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)phenanthro[9,10-b]pyridine?
The IUPAC name of 3-(2-chlorophenyl)phenanthro[9,10-b]pyridine (CID 167363061) is 3-(2-chlorophenyl)phenanthro[9,10-b]pyridine.
What is the SMILES notation for 3-(2-chlorophenyl)phenanthro[9,10-b]pyridine?
The canonical SMILES for 3-(2-chlorophenyl)phenanthro[9,10-b]pyridine is Clc1ccccc1-c1cnc2c3ccccc3c3ccccc3c2c1.
What is the InChIKey of 3-(2-chlorophenyl)phenanthro[9,10-b]pyridine?
The InChIKey is ZDVXCVXPGCZFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClN/c24-22-12-6-5-7-16(22)15-13-21-19-10-2-1-8-17(19)18-9-3-4-11-20(18)23(21)25-14-15/h1-14H.
What are the key properties of 3-(2-chlorophenyl)phenanthro[9,10-b]pyridine?
3-(2-chlorophenyl)phenanthro[9,10-b]pyridine has a molecular weight of 339.83 g/mol, XLogP of 6.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)phenanthro[9,10-b]pyridine is sourced from PubChem (CID 167363061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).