N-[(benzhydrylideneamino)-phenylmethylidene]benzamide

C27H20N2O — CID 14949427

IUPACN-[(benzhydrylideneamino)-phenylmethylidene]benzamide
SMILESO=C(/N=C(/N=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H20N2O/c30-27(24-19-11-4-12-20-24)29-26(23-17-9-3-10-18-23)28-25(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20H/b29-26+
InChIKeyYQMJKVNZFBOPTD-PBBVDAKRSA-N
MW388.47 g/mol
LogP5.81
Rot. Bonds4

About N-[(benzhydrylideneamino)-phenylmethylidene]benzamide

N-[(benzhydrylideneamino)-phenylmethylidene]benzamide (PubChem CID 14949427) has the molecular formula C27H20N2O and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(benzhydrylideneamino)-phenylmethylidene]benzamide.

Molecular Properties

Compound NameN-[(benzhydrylideneamino)-phenylmethylidene]benzamide
PubChem CID14949427
Molecular FormulaC27H20N2O
Molecular Weight388.47 g/mol
Exact Mass388.16
IUPAC NameN-[(benzhydrylideneamino)-phenylmethylidene]benzamide
SMILESO=C(/N=C(/N=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H20N2O/c30-27(24-19-11-4-12-20-24)29-26(23-17-9-3-10-18-23)28-25(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20H/b29-26+
InChIKeyYQMJKVNZFBOPTD-PBBVDAKRSA-N
XLogP5.81
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(benzhydrylideneamino)-phenylmethylidene]benzamide?
The IUPAC name of N-[(benzhydrylideneamino)-phenylmethylidene]benzamide (CID 14949427) is N-[(benzhydrylideneamino)-phenylmethylidene]benzamide.
What is the SMILES notation for N-[(benzhydrylideneamino)-phenylmethylidene]benzamide?
The canonical SMILES for N-[(benzhydrylideneamino)-phenylmethylidene]benzamide is O=C(/N=C(/N=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(benzhydrylideneamino)-phenylmethylidene]benzamide?
The InChIKey is YQMJKVNZFBOPTD-PBBVDAKRSA-N. The full InChI is InChI=1S/C27H20N2O/c30-27(24-19-11-4-12-20-24)29-26(23-17-9-3-10-18-23)28-25(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20H/b29-26+.
What are the key properties of N-[(benzhydrylideneamino)-phenylmethylidene]benzamide?
N-[(benzhydrylideneamino)-phenylmethylidene]benzamide has a molecular weight of 388.47 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(benzhydrylideneamino)-phenylmethylidene]benzamide is sourced from PubChem (CID 14949427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).