N-[(E)-1H-indol-7-ylmethylideneamino]-4-[4-[[(E)-1H-indol-7-ylmethylideneamino]carbamoyl]phenyl]benzamide

C32H24N6O2 — CID 89119499

IUPACN-[(E)-1H-indol-7-ylmethylideneamino]-4-[4-[[(E)-1H-indol-7-ylmethylideneamino]carbamoyl]phenyl]benzamide
SMILESO=C(N/N=C/c1cccc2cc[nH]c12)c1ccc(-c2ccc(C(=O)N/N=C/c3cccc4cc[nH]c34)cc2)cc1
InChIInChI=1S/C32H24N6O2/c39-31(37-35-19-27-5-1-3-23-15-17-33-29(23)27)25-11-7-21(8-12-25)22-9-13-26(14-10-22)32(40)38-36-20-28-6-2-4-24-16-18-34-30(24)28/h1-20,33-34H,(H,37,39)(H,38,40)/b35-19+,36-20+
InChIKeyJYZYZSZICWLCMX-CQFWSYKGSA-N
MW524.58 g/mol
LogP5.84
Rot. Bonds7

About N-[(E)-1H-indol-7-ylmethylideneamino]-4-[4-[[(E)-1H-indol-7-ylmethylideneamino]carbamoyl]phenyl]benzamide

N-[(E)-1H-indol-7-ylmethylideneamino]-4-[4-[[(E)-1H-indol-7-ylmethylideneamino]carbamoyl]phenyl]benzamide (PubChem CID 89119499) has the molecular formula C32H24N6O2 and a molecular weight of 524.58 g/mol. Its IUPAC name is N-[(E)-1H-indol-7-ylmethylideneamino]-4-[4-[[(E)-1H-indol-7-ylmethylideneamino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-7-ylmethylideneamino]-4-[4-[[(E)-1H-indol-7-ylmethylideneamino]carbamoyl]phenyl]benzamide
PubChem CID89119499
Molecular FormulaC32H24N6O2
Molecular Weight524.58 g/mol
Exact Mass524.20
IUPAC NameN-[(E)-1H-indol-7-ylmethylideneamino]-4-[4-[[(E)-1H-indol-7-ylmethylideneamino]carbamoyl]phenyl]benzamide
SMILESO=C(N/N=C/c1cccc2cc[nH]c12)c1ccc(-c2ccc(C(=O)N/N=C/c3cccc4cc[nH]c34)cc2)cc1
InChIInChI=1S/C32H24N6O2/c39-31(37-35-19-27-5-1-3-23-15-17-33-29(23)27)25-11-7-21(8-12-25)22-9-13-26(14-10-22)32(40)38-36-20-28-6-2-4-24-16-18-34-30(24)28/h1-20,33-34H,(H,37,39)(H,38,40)/b35-19+,36-20+
InChIKeyJYZYZSZICWLCMX-CQFWSYKGSA-N
XLogP5.84
TPSA114.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 55.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide
CID 5339577
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-methylbenzamide
CID 136593729
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide
CID 135959939
N-(furan-2-ylmethylideneamino)-1H-indole-7-carboxamide
CID 934241
4-hydroxy-N-[(E)-(2-iodophenyl)methylideneamino]benzamide
CID 6906211
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591
4-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788843
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
CID 5333191

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-7-ylmethylideneamino]-4-[4-[[(E)-1H-indol-7-ylmethylideneamino]carbamoyl]phenyl]benzamide?
The IUPAC name of N-[(E)-1H-indol-7-ylmethylideneamino]-4-[4-[[(E)-1H-indol-7-ylmethylideneamino]carbamoyl]phenyl]benzamide (CID 89119499) is N-[(E)-1H-indol-7-ylmethylideneamino]-4-[4-[[(E)-1H-indol-7-ylmethylideneamino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-[(E)-1H-indol-7-ylmethylideneamino]-4-[4-[[(E)-1H-indol-7-ylmethylideneamino]carbamoyl]phenyl]benzamide?
The canonical SMILES for N-[(E)-1H-indol-7-ylmethylideneamino]-4-[4-[[(E)-1H-indol-7-ylmethylideneamino]carbamoyl]phenyl]benzamide is O=C(N/N=C/c1cccc2cc[nH]c12)c1ccc(-c2ccc(C(=O)N/N=C/c3cccc4cc[nH]c34)cc2)cc1.
What is the InChIKey of N-[(E)-1H-indol-7-ylmethylideneamino]-4-[4-[[(E)-1H-indol-7-ylmethylideneamino]carbamoyl]phenyl]benzamide?
The InChIKey is JYZYZSZICWLCMX-CQFWSYKGSA-N. The full InChI is InChI=1S/C32H24N6O2/c39-31(37-35-19-27-5-1-3-23-15-17-33-29(23)27)25-11-7-21(8-12-25)22-9-13-26(14-10-22)32(40)38-36-20-28-6-2-4-24-16-18-34-30(24)28/h1-20,33-34H,(H,37,39)(H,38,40)/b35-19+,36-20+.
What are the key properties of N-[(E)-1H-indol-7-ylmethylideneamino]-4-[4-[[(E)-1H-indol-7-ylmethylideneamino]carbamoyl]phenyl]benzamide?
N-[(E)-1H-indol-7-ylmethylideneamino]-4-[4-[[(E)-1H-indol-7-ylmethylideneamino]carbamoyl]phenyl]benzamide has a molecular weight of 524.58 g/mol, XLogP of 5.84, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-7-ylmethylideneamino]-4-[4-[[(E)-1H-indol-7-ylmethylideneamino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 89119499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).