2-(2,6-dichlorophenyl)benzo[c]phenanthrene

C24H14Cl2 — CID 58526408

IUPAC2-(2,6-dichlorophenyl)benzo[c]phenanthrene
SMILESClc1cccc(Cl)c1-c1ccc2ccc3ccc4ccccc4c3c2c1
InChIInChI=1S/C24H14Cl2/c25-21-6-3-7-22(26)24(21)18-13-10-16-9-12-17-11-8-15-4-1-2-5-19(15)23(17)20(16)14-18/h1-14H
InChIKeyAKOGBKXWGCTDBR-UHFFFAOYSA-N
MW373.28 g/mol
LogP8.12
Rot. Bonds1

About 2-(2,6-dichlorophenyl)benzo[c]phenanthrene

2-(2,6-dichlorophenyl)benzo[c]phenanthrene (PubChem CID 58526408) has the molecular formula C24H14Cl2 and a molecular weight of 373.28 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)benzo[c]phenanthrene.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)benzo[c]phenanthrene
PubChem CID58526408
Molecular FormulaC24H14Cl2
Molecular Weight373.28 g/mol
Exact Mass372.05
IUPAC Name2-(2,6-dichlorophenyl)benzo[c]phenanthrene
SMILESClc1cccc(Cl)c1-c1ccc2ccc3ccc4ccccc4c3c2c1
InChIInChI=1S/C24H14Cl2/c25-21-6-3-7-22(26)24(21)18-13-10-16-9-12-17-11-8-15-4-1-2-5-19(15)23(17)20(16)14-18/h1-14H
InChIKeyAKOGBKXWGCTDBR-UHFFFAOYSA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.28
LogP ≤ 58.12
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)benzo[c]phenanthrene?
The IUPAC name of 2-(2,6-dichlorophenyl)benzo[c]phenanthrene (CID 58526408) is 2-(2,6-dichlorophenyl)benzo[c]phenanthrene.
What is the SMILES notation for 2-(2,6-dichlorophenyl)benzo[c]phenanthrene?
The canonical SMILES for 2-(2,6-dichlorophenyl)benzo[c]phenanthrene is Clc1cccc(Cl)c1-c1ccc2ccc3ccc4ccccc4c3c2c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)benzo[c]phenanthrene?
The InChIKey is AKOGBKXWGCTDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2/c25-21-6-3-7-22(26)24(21)18-13-10-16-9-12-17-11-8-15-4-1-2-5-19(15)23(17)20(16)14-18/h1-14H.
What are the key properties of 2-(2,6-dichlorophenyl)benzo[c]phenanthrene?
2-(2,6-dichlorophenyl)benzo[c]phenanthrene has a molecular weight of 373.28 g/mol, XLogP of 8.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)benzo[c]phenanthrene is sourced from PubChem (CID 58526408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).