CID 177482293

C24H18N6 — CID 177482293

IUPAC—
SMILESCc1cccc(C)c1/N=[C]/C(C#N)(C#N)C(/[C]=N/c1c(C)cccc1C)(C#N)C#N
InChIInChI=1S/C24H18N6/c1-17-7-5-8-18(2)21(17)29-15-23(11-25,12-26)24(13-27,14-28)16-30-22-19(3)9-6-10-20(22)4/h5-10H,1-4H3
InChIKeyJFUDSWJBWFATTI-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.85
Rot. Bonds5

About CID 177482293

CID 177482293 (PubChem CID 177482293) has the molecular formula C24H18N6 and a molecular weight of 390.45 g/mol.

Molecular Properties

Compound NameCID 177482293
PubChem CID177482293
Molecular FormulaC24H18N6
Molecular Weight390.45 g/mol
Exact Mass390.16
IUPAC Name—
SMILESCc1cccc(C)c1/N=[C]/C(C#N)(C#N)C(/[C]=N/c1c(C)cccc1C)(C#N)C#N
InChIInChI=1S/C24H18N6/c1-17-7-5-8-18(2)21(17)29-15-23(11-25,12-26)24(13-27,14-28)16-30-22-19(3)9-6-10-20(22)4/h5-10H,1-4H3
InChIKeyJFUDSWJBWFATTI-UHFFFAOYSA-N
XLogP4.85
TPSA119.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_cyano_A(23)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 177482293?
The IUPAC name of CID 177482293 (CID 177482293) is not available.
What is the SMILES notation for CID 177482293?
The canonical SMILES for CID 177482293 is Cc1cccc(C)c1/N=[C]/C(C#N)(C#N)C(/[C]=N/c1c(C)cccc1C)(C#N)C#N.
What is the InChIKey of CID 177482293?
The InChIKey is JFUDSWJBWFATTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6/c1-17-7-5-8-18(2)21(17)29-15-23(11-25,12-26)24(13-27,14-28)16-30-22-19(3)9-6-10-20(22)4/h5-10H,1-4H3.
What are the key properties of CID 177482293?
CID 177482293 has a molecular weight of 390.45 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177482293 is sourced from PubChem (CID 177482293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).