ethane;9-[4-[4-methyl-3-(2-propylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene

C56H66 — CID 143848474

About ethane;9-[4-[4-methyl-3-(2-propylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene

ethane;9-[4-[4-methyl-3-(2-propylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene (PubChem CID 143848474) has the molecular formula C56H66 and a molecular weight of 739.14 g/mol. Its IUPAC name is ethane;9-[4-[4-methyl-3-(2-propylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene.

Molecular Properties

• Compound Name: ethane;9-[4-[4-methyl-3-(2-propylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
• PubChem CID: 143848474
• Molecular Formula: C56H66
• Molecular Weight: 739.14 g/mol
• Exact Mass: 738.52
• IUPAC Name: ethane;9-[4-[4-methyl-3-(2-propylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
• SMILES: CC.CC.CC.CC.CC.CCCc1ccccc1-c1cc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)ccc1C
• InChI: InChI=1S/C46H36.5C2H6/c1-3-12-34-14-6-7-16-39(34)44-30-37(22-21-31(44)2)33-23-26-35(27-24-33)45-40-17-8-10-19-42(40)46(43-20-11-9-18-41(43)45)38-28-25-32-13-4-5-15-36(32)29-38;5*1-2/h4-11,13-30H,3,12H2,1-2H3;5*1-2H3
• InChIKey: FHFGMRPMEVIPJZ-UHFFFAOYSA-N
• XLogP: 18.21
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.14
LogP ≤ 5	18.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;9-[4-[4-methyl-3-(2-propylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene?

The IUPAC name of ethane;9-[4-[4-methyl-3-(2-propylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene (CID 143848474) is ethane;9-[4-[4-methyl-3-(2-propylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene.

What is the SMILES notation for ethane;9-[4-[4-methyl-3-(2-propylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene?

The canonical SMILES for ethane;9-[4-[4-methyl-3-(2-propylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene is CC.CC.CC.CC.CC.CCCc1ccccc1-c1cc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)ccc1C.

What is the InChIKey of ethane;9-[4-[4-methyl-3-(2-propylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene?

The InChIKey is FHFGMRPMEVIPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36.5C2H6/c1-3-12-34-14-6-7-16-39(34)44-30-37(22-21-31(44)2)33-23-26-35(27-24-33)45-40-17-8-10-19-42(40)46(43-20-11-9-18-41(43)45)38-28-25-32-13-4-5-15-36(32)29-38;5*1-2/h4-11,13-30H,3,12H2,1-2H3;5*1-2H3.

What are the key properties of ethane;9-[4-[4-methyl-3-(2-propylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene?

ethane;9-[4-[4-methyl-3-(2-propylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene has a molecular weight of 739.14 g/mol, XLogP of 18.21, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;9-[4-[4-methyl-3-(2-propylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 143848474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).