N-(9-benzamido-1,10-phenanthrolin-2-yl)benzamide

C26H18N4O2 — CID 1006362

IUPACN-(9-benzamido-1,10-phenanthrolin-2-yl)benzamide
SMILESO=C(Nc1ccc2ccc3ccc(NC(=O)c4ccccc4)nc3c2n1)c1ccccc1
InChIInChI=1S/C26H18N4O2/c31-25(19-7-3-1-4-8-19)29-21-15-13-17-11-12-18-14-16-22(28-24(18)23(17)27-21)30-26(32)20-9-5-2-6-10-20/h1-16H,(H,27,29,31)(H,28,30,32)
InChIKeySRGPIQNSWGWCDB-UHFFFAOYSA-N
MW418.46 g/mol
LogP5.29
Rot. Bonds4

About N-(9-benzamido-1,10-phenanthrolin-2-yl)benzamide

N-(9-benzamido-1,10-phenanthrolin-2-yl)benzamide (PubChem CID 1006362) has the molecular formula C26H18N4O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-(9-benzamido-1,10-phenanthrolin-2-yl)benzamide.

Molecular Properties

Compound NameN-(9-benzamido-1,10-phenanthrolin-2-yl)benzamide
PubChem CID1006362
Molecular FormulaC26H18N4O2
Molecular Weight418.46 g/mol
Exact Mass418.14
IUPAC NameN-(9-benzamido-1,10-phenanthrolin-2-yl)benzamide
SMILESO=C(Nc1ccc2ccc3ccc(NC(=O)c4ccccc4)nc3c2n1)c1ccccc1
InChIInChI=1S/C26H18N4O2/c31-25(19-7-3-1-4-8-19)29-21-15-13-17-11-12-18-14-16-22(28-24(18)23(17)27-21)30-26(32)20-9-5-2-6-10-20/h1-16H,(H,27,29,31)(H,28,30,32)
InChIKeySRGPIQNSWGWCDB-UHFFFAOYSA-N
XLogP5.29
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.46
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(9-benzamido-1,10-phenanthrolin-2-yl)benzamide?
The IUPAC name of N-(9-benzamido-1,10-phenanthrolin-2-yl)benzamide (CID 1006362) is N-(9-benzamido-1,10-phenanthrolin-2-yl)benzamide.
What is the SMILES notation for N-(9-benzamido-1,10-phenanthrolin-2-yl)benzamide?
The canonical SMILES for N-(9-benzamido-1,10-phenanthrolin-2-yl)benzamide is O=C(Nc1ccc2ccc3ccc(NC(=O)c4ccccc4)nc3c2n1)c1ccccc1.
What is the InChIKey of N-(9-benzamido-1,10-phenanthrolin-2-yl)benzamide?
The InChIKey is SRGPIQNSWGWCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O2/c31-25(19-7-3-1-4-8-19)29-21-15-13-17-11-12-18-14-16-22(28-24(18)23(17)27-21)30-26(32)20-9-5-2-6-10-20/h1-16H,(H,27,29,31)(H,28,30,32).
What are the key properties of N-(9-benzamido-1,10-phenanthrolin-2-yl)benzamide?
N-(9-benzamido-1,10-phenanthrolin-2-yl)benzamide has a molecular weight of 418.46 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-benzamido-1,10-phenanthrolin-2-yl)benzamide is sourced from PubChem (CID 1006362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).