CID 165110501

C31H140F2N4O — CID 165110501

About CID 165110501

CID 165110501 (PubChem CID 165110501) has the molecular formula C31H140F2N4O and a molecular weight of 854.41 g/mol.

Molecular Properties

• Compound Name: CID 165110501
• PubChem CID: 165110501
• Molecular Formula: C31H140F2N4O
• Molecular Weight: 854.41 g/mol
• Exact Mass: 854.05
• IUPAC Name: —
• SMILES: [3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[C-]#[N+]C1=C[C@@]2(C)c3nc(-c4cc(CF)nc5ccccc45)nc(-c4ccccc4F)c3CC[C@@H]2[C@@H](C)C1=O.[H][3H]
• InChI: InChI=1S/C31H24F2N4O.58H2/c1-17-23-13-12-21-27(20-9-4-6-10-24(20)33)36-30(37-29(21)31(23,2)15-26(34-3)28(17)38)22-14-18(16-32)35-25-11-7-5-8-19(22)25;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4-11,14-15,17,23H,12-13,16H2,1-2H3;58*1H/t17-,23-,31-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1........................................................../s1/i;57*1+2T;1+2
• InChIKey: ZWDROLSPODHYNZ-VZAUKKTESA-N
• XLogP: 21.08
• TPSA: 60.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.41
LogP ≤ 5	21.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of CID 165110501?

The IUPAC name of CID 165110501 (CID 165110501) is not available.

What is the SMILES notation for CID 165110501?

The canonical SMILES for CID 165110501 is [3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[C-]#[N+]C1=C[C@@]2(C)c3nc(-c4cc(CF)nc5ccccc45)nc(-c4ccccc4F)c3CC[C@@H]2[C@@H](C)C1=O.[H][3H].

What is the InChIKey of CID 165110501?

The InChIKey is ZWDROLSPODHYNZ-VZAUKKTESA-N. The full InChI is InChI=1S/C31H24F2N4O.58H2/c1-17-23-13-12-21-27(20-9-4-6-10-24(20)33)36-30(37-29(21)31(23,2)15-26(34-3)28(17)38)22-14-18(16-32)35-25-11-7-5-8-19(22)25;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4-11,14-15,17,23H,12-13,16H2,1-2H3;58*1H/t17-,23-,31-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1........................................................../s1/i;57*1+2T;1+2.

What are the key properties of CID 165110501?

CID 165110501 has a molecular weight of 854.41 g/mol, XLogP of 21.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for CID 165110501 is sourced from PubChem (CID 165110501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).