9-(4-chloronaphthalen-2-yl)phenanthrene

C24H15Cl — CID 169007345

IUPAC9-(4-chloronaphthalen-2-yl)phenanthrene
SMILESClc1cc(-c2cc3ccccc3c3ccccc23)cc2ccccc12
InChIInChI=1S/C24H15Cl/c25-24-15-18(13-16-7-2-4-10-20(16)24)23-14-17-8-1-3-9-19(17)21-11-5-6-12-22(21)23/h1-15H
InChIKeyPEDULVMJOZCICF-UHFFFAOYSA-N
MW338.84 g/mol
LogP7.47
Rot. Bonds1

About 9-(4-chloronaphthalen-2-yl)phenanthrene

9-(4-chloronaphthalen-2-yl)phenanthrene (PubChem CID 169007345) has the molecular formula C24H15Cl and a molecular weight of 338.84 g/mol. Its IUPAC name is 9-(4-chloronaphthalen-2-yl)phenanthrene.

Molecular Properties

Compound Name9-(4-chloronaphthalen-2-yl)phenanthrene
PubChem CID169007345
Molecular FormulaC24H15Cl
Molecular Weight338.84 g/mol
Exact Mass338.09
IUPAC Name9-(4-chloronaphthalen-2-yl)phenanthrene
SMILESClc1cc(-c2cc3ccccc3c3ccccc23)cc2ccccc12
InChIInChI=1S/C24H15Cl/c25-24-15-18(13-16-7-2-4-10-20(16)24)23-14-17-8-1-3-9-19(17)21-11-5-6-12-22(21)23/h1-15H
InChIKeyPEDULVMJOZCICF-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.84
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
3-(3-hydroxy-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylphenol
CID 89295941
4-phenanthren-9-ylheptacyclo[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-tetradecaene
CID 167410426
9-(4-chloro-2,5-diphenylphenyl)phenanthrene
CID 170067041
9-(2-chloro-5-phenanthren-9-ylphenyl)-10-phenylanthracene
CID 146478399
9-(4-iodophenyl)phenanthrene
CID 89083753
2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629226
[3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol
CID 88900775
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
9-(3-methyl-5-phenylphenyl)phenanthrene
CID 156682596
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine
CID 59428688

Frequently Asked Questions

What is the IUPAC name of 9-(4-chloronaphthalen-2-yl)phenanthrene?
The IUPAC name of 9-(4-chloronaphthalen-2-yl)phenanthrene (CID 169007345) is 9-(4-chloronaphthalen-2-yl)phenanthrene.
What is the SMILES notation for 9-(4-chloronaphthalen-2-yl)phenanthrene?
The canonical SMILES for 9-(4-chloronaphthalen-2-yl)phenanthrene is Clc1cc(-c2cc3ccccc3c3ccccc23)cc2ccccc12.
What is the InChIKey of 9-(4-chloronaphthalen-2-yl)phenanthrene?
The InChIKey is PEDULVMJOZCICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl/c25-24-15-18(13-16-7-2-4-10-20(16)24)23-14-17-8-1-3-9-19(17)21-11-5-6-12-22(21)23/h1-15H.
What are the key properties of 9-(4-chloronaphthalen-2-yl)phenanthrene?
9-(4-chloronaphthalen-2-yl)phenanthrene has a molecular weight of 338.84 g/mol, XLogP of 7.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chloronaphthalen-2-yl)phenanthrene is sourced from PubChem (CID 169007345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).