CID 171636424

C₃₅H₄₃ — CID 171636424

About CID 171636424

CID 171636424 (PubChem CID 171636424) has the molecular formula C₃₅H₄₃ and a molecular weight of 463.73 g/mol.

Molecular Properties

• Compound Name: CID 171636424
• PubChem CID: 171636424
• Molecular Formula: C₃₅H₄₃
• Molecular Weight: 463.73 g/mol
• Exact Mass: 463.34
• IUPAC Name: —
• SMILES: C=Cc1ccc2ccccc2c1[CH]C(CC1=C(C(C)C)CCC=C1C(C)C)c1ccccc1.CC
• InChI: InChI=1S/C33H37.C2H6/c1-6-25-19-20-27-15-10-11-16-31(27)32(25)21-28(26-13-8-7-9-14-26)22-33-29(23(2)3)17-12-18-30(33)24(4)5;1-2/h6-11,13-17,19-21,23-24,28H,1,12,18,22H2,2-5H3;1-2H3
• InChIKey: LDRRGWGMSGYBPJ-UHFFFAOYSA-N
• XLogP: 10.56
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.73
LogP ≤ 5	10.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of CID 171636424?

The IUPAC name of CID 171636424 (CID 171636424) is not available.

What is the SMILES notation for CID 171636424?

The canonical SMILES for CID 171636424 is C=Cc1ccc2ccccc2c1[CH]C(CC1=C(C(C)C)CCC=C1C(C)C)c1ccccc1.CC.

What is the InChIKey of CID 171636424?

The InChIKey is LDRRGWGMSGYBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37.C2H6/c1-6-25-19-20-27-15-10-11-16-31(27)32(25)21-28(26-13-8-7-9-14-26)22-33-29(23(2)3)17-12-18-30(33)24(4)5;1-2/h6-11,13-17,19-21,23-24,28H,1,12,18,22H2,2-5H3;1-2H3.

What are the key properties of CID 171636424?

CID 171636424 has a molecular weight of 463.73 g/mol, XLogP of 10.56, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for CID 171636424 is sourced from PubChem (CID 171636424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171636424 — identifiers, structure, computed properties (public domain)

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