CID 71507870

C28H39N2Y+ — CID 71507870

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[Y+3]
InChIInChI=1S/C10H15.2C9H12N.Y/c1-6-7(2)9(4)10(5)8(6)3;2*1-8-6-4-5-7-9(8)10(2)3;/h1-5H3;2*4-7H,1H2,2-3H3;/q;2*-1;+3
InChIKeyMGMJSEJPPVATEX-UHFFFAOYSA-N
MW492.54 g/mol
LogP6.84
Rot. Bonds2

About CID 71507870

CID 71507870 (PubChem CID 71507870) has the molecular formula C28H39N2Y+ and a molecular weight of 492.54 g/mol.

Molecular Properties

Compound NameCID 71507870
PubChem CID71507870
Molecular FormulaC28H39N2Y+
Molecular Weight492.54 g/mol
Exact Mass492.22
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[Y+3]
InChIInChI=1S/C10H15.2C9H12N.Y/c1-6-7(2)9(4)10(5)8(6)3;2*1-8-6-4-5-7-9(8)10(2)3;/h1-5H3;2*4-7H,1H2,2-3H3;/q;2*-1;+3
InChIKeyMGMJSEJPPVATEX-UHFFFAOYSA-N
XLogP6.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.54
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 71507870?
The IUPAC name of CID 71507870 (CID 71507870) is not available.
What is the SMILES notation for CID 71507870?
The canonical SMILES for CID 71507870 is C[C]1[C](C)[C](C)[C](C)[C]1C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[Y+3].
What is the InChIKey of CID 71507870?
The InChIKey is MGMJSEJPPVATEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.2C9H12N.Y/c1-6-7(2)9(4)10(5)8(6)3;2*1-8-6-4-5-7-9(8)10(2)3;/h1-5H3;2*4-7H,1H2,2-3H3;/q;2*-1;+3.
What are the key properties of CID 71507870?
CID 71507870 has a molecular weight of 492.54 g/mol, XLogP of 6.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71507870 is sourced from PubChem (CID 71507870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).