ethane;2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol;propane

C36H47NO — CID 143485628

About ethane;2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol;propane

ethane;2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol;propane (PubChem CID 143485628) has the molecular formula C36H47NO and a molecular weight of 509.78 g/mol. Its IUPAC name is ethane;2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol;propane.

Molecular Properties

• Compound Name: ethane;2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol;propane
• PubChem CID: 143485628
• Molecular Formula: C36H47NO
• Molecular Weight: 509.78 g/mol
• Exact Mass: 509.37
• IUPAC Name: ethane;2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol;propane
• SMILES: CC.CCC.CCc1ccc2ccc(/C=C/c3cccc(CCCc4ccccc4C(C)(C)O)c3)nc2c1
• InChI: InChI=1S/C31H33NO.C3H8.C2H6/c1-4-23-15-17-27-18-20-28(32-30(27)22-23)19-16-25-10-7-9-24(21-25)11-8-13-26-12-5-6-14-29(26)31(2,3)33;1-3-2;1-2/h5-7,9-10,12,14-22,33H,4,8,11,13H2,1-3H3;3H2,1-2H3;1-2H3/b19-16+
• InChIKey: PVUDVEYQLGGURV-JWZFBPJHSA-N
• XLogP: 9.81
• TPSA: 33.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.78
LogP ≤ 5	9.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol;propane?

The IUPAC name of ethane;2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol;propane (CID 143485628) is ethane;2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol;propane.

What is the SMILES notation for ethane;2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol;propane?

The canonical SMILES for ethane;2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol;propane is CC.CCC.CCc1ccc2ccc(/C=C/c3cccc(CCCc4ccccc4C(C)(C)O)c3)nc2c1.

What is the InChIKey of ethane;2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol;propane?

The InChIKey is PVUDVEYQLGGURV-JWZFBPJHSA-N. The full InChI is InChI=1S/C31H33NO.C3H8.C2H6/c1-4-23-15-17-27-18-20-28(32-30(27)22-23)19-16-25-10-7-9-24(21-25)11-8-13-26-12-5-6-14-29(26)31(2,3)33;1-3-2;1-2/h5-7,9-10,12,14-22,33H,4,8,11,13H2,1-3H3;3H2,1-2H3;1-2H3/b19-16+;;.

What are the key properties of ethane;2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol;propane?

ethane;2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol;propane has a molecular weight of 509.78 g/mol, XLogP of 9.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol;propane is sourced from PubChem (CID 143485628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).