(E)-N-[(E)-1H-indol-5-ylmethylideneamino]-3-[4-[(E)-3-[(2E)-2-(1H-indol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide

C30H24N6O2 — CID 89119471

IUPAC(E)-N-[(E)-1H-indol-5-ylmethylideneamino]-3-[4-[(E)-3-[(2E)-2-(1H-indol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(/C=C/C(=O)N/N=C/c2ccc3[nH]ccc3c2)cc1)N/N=C/c1ccc2[nH]ccc2c1
InChIInChI=1S/C30H24N6O2/c37-29(35-33-19-23-5-9-27-25(17-23)13-15-31-27)11-7-21-1-2-22(4-3-21)8-12-30(38)36-34-20-24-6-10-28-26(18-24)14-16-32-28/h1-20,31-32H,(H,35,37)(H,36,38)/b11-7+,12-8+,33-19+,34-20+
InChIKeyGMZFVDQVYJVXCE-CKLZWEEUSA-N
MW500.56 g/mol
LogP4.98
Rot. Bonds8

About (E)-N-[(E)-1H-indol-5-ylmethylideneamino]-3-[4-[(E)-3-[(2E)-2-(1H-indol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide

(E)-N-[(E)-1H-indol-5-ylmethylideneamino]-3-[4-[(E)-3-[(2E)-2-(1H-indol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide (PubChem CID 89119471) has the molecular formula C30H24N6O2 and a molecular weight of 500.56 g/mol. Its IUPAC name is (E)-N-[(E)-1H-indol-5-ylmethylideneamino]-3-[4-[(E)-3-[(2E)-2-(1H-indol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(E)-1H-indol-5-ylmethylideneamino]-3-[4-[(E)-3-[(2E)-2-(1H-indol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide
PubChem CID89119471
Molecular FormulaC30H24N6O2
Molecular Weight500.56 g/mol
Exact Mass500.20
IUPAC Name(E)-N-[(E)-1H-indol-5-ylmethylideneamino]-3-[4-[(E)-3-[(2E)-2-(1H-indol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(/C=C/C(=O)N/N=C/c2ccc3[nH]ccc3c2)cc1)N/N=C/c1ccc2[nH]ccc2c1
InChIInChI=1S/C30H24N6O2/c37-29(35-33-19-23-5-9-27-25(17-23)13-15-31-27)11-7-21-1-2-22(4-3-21)8-12-30(38)36-34-20-24-6-10-28-26(18-24)14-16-32-28/h1-20,31-32H,(H,35,37)(H,36,38)/b11-7+,12-8+,33-19+,34-20+
InChIKeyGMZFVDQVYJVXCE-CKLZWEEUSA-N
XLogP4.98
TPSA114.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 54.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-[(E)-1H-indol-5-ylmethylideneamino]-3-[4-[(E)-3-[(2E)-2-(1H-indol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide with MolForge

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Related Compounds

N-[(E)-1H-indol-5-ylmethylideneamino]thiophene-3-carboxamide
CID 11694670
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methylideneamino]prop-2-enamide
CID 1280138
tert-butyl N-[(E)-1H-indol-6-ylmethylideneamino]carbamate
CID 71668946
(E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 74539649
3-chloro-N-[2-[2-(1H-indol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide
CID 123771134
(E)-1-(2-hydroxyphenyl)-3-(1H-indol-5-yl)prop-2-en-1-one
CID 118909598
(E)-N-[(4-chloro-3-nitrophenyl)methylideneamino]-3-phenylprop-2-enamide
CID 19165148
4-[(Z)-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]hydrazinylidene]methyl]benzoic acid
CID 126066826
5-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole
CID 135043581
(E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide
CID 126067611
N-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
CID 1280148
5-[(Z)-2-chloroethenyl]-1H-indole
CID 145444556

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-1H-indol-5-ylmethylideneamino]-3-[4-[(E)-3-[(2E)-2-(1H-indol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[(E)-1H-indol-5-ylmethylideneamino]-3-[4-[(E)-3-[(2E)-2-(1H-indol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide (CID 89119471) is (E)-N-[(E)-1H-indol-5-ylmethylideneamino]-3-[4-[(E)-3-[(2E)-2-(1H-indol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[(E)-1H-indol-5-ylmethylideneamino]-3-[4-[(E)-3-[(2E)-2-(1H-indol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[(E)-1H-indol-5-ylmethylideneamino]-3-[4-[(E)-3-[(2E)-2-(1H-indol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(/C=C/C(=O)N/N=C/c2ccc3[nH]ccc3c2)cc1)N/N=C/c1ccc2[nH]ccc2c1.
What is the InChIKey of (E)-N-[(E)-1H-indol-5-ylmethylideneamino]-3-[4-[(E)-3-[(2E)-2-(1H-indol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide?
The InChIKey is GMZFVDQVYJVXCE-CKLZWEEUSA-N. The full InChI is InChI=1S/C30H24N6O2/c37-29(35-33-19-23-5-9-27-25(17-23)13-15-31-27)11-7-21-1-2-22(4-3-21)8-12-30(38)36-34-20-24-6-10-28-26(18-24)14-16-32-28/h1-20,31-32H,(H,35,37)(H,36,38)/b11-7+,12-8+,33-19+,34-20+.
What are the key properties of (E)-N-[(E)-1H-indol-5-ylmethylideneamino]-3-[4-[(E)-3-[(2E)-2-(1H-indol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide?
(E)-N-[(E)-1H-indol-5-ylmethylideneamino]-3-[4-[(E)-3-[(2E)-2-(1H-indol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide has a molecular weight of 500.56 g/mol, XLogP of 4.98, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-1H-indol-5-ylmethylideneamino]-3-[4-[(E)-3-[(2E)-2-(1H-indol-5-ylmethylidene)hydrazinyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide is sourced from PubChem (CID 89119471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).