3-(4-chloronaphthalen-1-yl)phenanthrene

C24H15Cl — CID 177271223

IUPAC3-(4-chloronaphthalen-1-yl)phenanthrene
SMILESClc1ccc(-c2ccc3ccc4ccccc4c3c2)c2ccccc12
InChIInChI=1S/C24H15Cl/c25-24-14-13-20(21-7-3-4-8-22(21)24)18-12-11-17-10-9-16-5-1-2-6-19(16)23(17)15-18/h1-15H
InChIKeyYECFKSFEUXIZRU-UHFFFAOYSA-N
MW338.84 g/mol
LogP7.47
Rot. Bonds1

About 3-(4-chloronaphthalen-1-yl)phenanthrene

3-(4-chloronaphthalen-1-yl)phenanthrene (PubChem CID 177271223) has the molecular formula C24H15Cl and a molecular weight of 338.84 g/mol. Its IUPAC name is 3-(4-chloronaphthalen-1-yl)phenanthrene.

Molecular Properties

Compound Name3-(4-chloronaphthalen-1-yl)phenanthrene
PubChem CID177271223
Molecular FormulaC24H15Cl
Molecular Weight338.84 g/mol
Exact Mass338.09
IUPAC Name3-(4-chloronaphthalen-1-yl)phenanthrene
SMILESClc1ccc(-c2ccc3ccc4ccccc4c3c2)c2ccccc12
InChIInChI=1S/C24H15Cl/c25-24-14-13-20(21-7-3-4-8-22(21)24)18-12-11-17-10-9-16-5-1-2-6-19(16)23(17)15-18/h1-15H
InChIKeyYECFKSFEUXIZRU-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

2-(4-phenanthren-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 171732105
2-phenanthren-3-ylaniline
CID 118107877
2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid
CID 79592153
2-(6-phenanthren-2-ylpyren-1-yl)triphenylene
CID 176846459
2-(5-bromo-2-chlorophenyl)phenanthrene
CID 167303634
4-(4-chloronaphthalen-1-yl)aniline
CID 79597038
3-(6-chrysen-3-ylnaphthalen-2-yl)perylene
CID 140818378
1,7-dichloro-4,10-dinaphthalen-2-ylperylene
CID 167097184
3-(6-phenanthren-3-ylphenanthren-2-yl)chrysene
CID 123221048
3-(7-phenanthren-2-ylphenanthren-2-yl)chrysene
CID 123286443
4-phenanthren-3-yl-N,3-diphenylaniline
CID 177300604
1-(6-pyren-1-ylphenanthren-3-yl)pyrene
CID 142721789

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloronaphthalen-1-yl)phenanthrene?
The IUPAC name of 3-(4-chloronaphthalen-1-yl)phenanthrene (CID 177271223) is 3-(4-chloronaphthalen-1-yl)phenanthrene.
What is the SMILES notation for 3-(4-chloronaphthalen-1-yl)phenanthrene?
The canonical SMILES for 3-(4-chloronaphthalen-1-yl)phenanthrene is Clc1ccc(-c2ccc3ccc4ccccc4c3c2)c2ccccc12.
What is the InChIKey of 3-(4-chloronaphthalen-1-yl)phenanthrene?
The InChIKey is YECFKSFEUXIZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl/c25-24-14-13-20(21-7-3-4-8-22(21)24)18-12-11-17-10-9-16-5-1-2-6-19(16)23(17)15-18/h1-15H.
What are the key properties of 3-(4-chloronaphthalen-1-yl)phenanthrene?
3-(4-chloronaphthalen-1-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 3-(4-chloronaphthalen-1-yl)phenanthrene is sourced from PubChem (CID 177271223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).