CID 87159034

C24H28AsN7 — CID 87159034

IUPAC—
SMILESCc1cccc2cc(Cn3cnc4c([As])ncnc43)c(N(C)CC3CCN(C)CC3)nc12
InChIInChI=1S/C24H28AsN7/c1-16-5-4-6-18-11-19(13-32-15-28-21-22(25)26-14-27-24(21)32)23(29-20(16)18)31(3)12-17-7-9-30(2)10-8-17/h4-6,11,14-15,17H,7-10,12-13H2,1-3H3
InChIKeyZRZCOGOULIKEFM-UHFFFAOYSA-N
MW489.46 g/mol
LogP2.30
Rot. Bonds5

About CID 87159034

CID 87159034 (PubChem CID 87159034) has the molecular formula C24H28AsN7 and a molecular weight of 489.46 g/mol.

Molecular Properties

Compound NameCID 87159034
PubChem CID87159034
Molecular FormulaC24H28AsN7
Molecular Weight489.46 g/mol
Exact Mass489.16
IUPAC Name—
SMILESCc1cccc2cc(Cn3cnc4c([As])ncnc43)c(N(C)CC3CCN(C)CC3)nc12
InChIInChI=1S/C24H28AsN7/c1-16-5-4-6-18-11-19(13-32-15-28-21-22(25)26-14-27-24(21)32)23(29-20(16)18)31(3)12-17-7-9-30(2)10-8-17/h4-6,11,14-15,17H,7-10,12-13H2,1-3H3
InChIKeyZRZCOGOULIKEFM-UHFFFAOYSA-N
XLogP2.30
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.46
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87159034?
The IUPAC name of CID 87159034 (CID 87159034) is not available.
What is the SMILES notation for CID 87159034?
The canonical SMILES for CID 87159034 is Cc1cccc2cc(Cn3cnc4c([As])ncnc43)c(N(C)CC3CCN(C)CC3)nc12.
What is the InChIKey of CID 87159034?
The InChIKey is ZRZCOGOULIKEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28AsN7/c1-16-5-4-6-18-11-19(13-32-15-28-21-22(25)26-14-27-24(21)32)23(29-20(16)18)31(3)12-17-7-9-30(2)10-8-17/h4-6,11,14-15,17H,7-10,12-13H2,1-3H3.
What are the key properties of CID 87159034?
CID 87159034 has a molecular weight of 489.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87159034 is sourced from PubChem (CID 87159034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).