9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene

C46H30 — CID 144568902

IUPAC9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccccc3-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C46H30/c1-3-14-33-28-36(26-24-31(33)12-1)35-16-11-17-38(30-35)45-41-20-7-9-22-43(41)46(44-23-10-8-21-42(44)45)40-19-6-5-18-39(40)37-27-25-32-13-2-4-15-34(32)29-37/h1-30H
InChIKeyBKRKQYOLYLMMQH-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene

9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene (PubChem CID 144568902) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

Compound Name9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
PubChem CID144568902
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccccc3-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C46H30/c1-3-14-33-28-36(26-24-31(33)12-1)35-16-11-17-38(30-35)45-41-20-7-9-22-43(41)46(44-23-10-8-21-42(44)45)40-19-6-5-18-39(40)37-27-25-32-13-2-4-15-34(32)29-37/h1-30H
InChIKeyBKRKQYOLYLMMQH-UHFFFAOYSA-N
XLogP12.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene (CID 144568902) is 9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccccc3-c3ccc4ccccc4c3)c3ccccc23)c1.
What is the InChIKey of 9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene?
The InChIKey is BKRKQYOLYLMMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-3-14-33-28-36(26-24-31(33)12-1)35-16-11-17-38(30-35)45-41-20-7-9-22-43(41)46(44-23-10-8-21-42(44)45)40-19-6-5-18-39(40)37-27-25-32-13-2-4-15-34(32)29-37/h1-30H.
What are the key properties of 9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene?
9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene has a molecular weight of 582.75 g/mol, XLogP of 12.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 144568902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).