3-(3,6-diiodocarbazol-9-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide

C24H18I2N4O — CID 135554404

IUPAC3-(3,6-diiodocarbazol-9-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
SMILESO=C(CCn1c2ccc(I)cc2c2cc(I)ccc21)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C24H18I2N4O/c25-16-5-7-22-19(11-16)20-12-17(26)6-8-23(20)30(22)10-9-24(31)29-28-14-15-13-27-21-4-2-1-3-18(15)21/h1-8,11-14,27H,9-10H2,(H,29,31)/b28-14+
InChIKeyOVEBGNHASYLWLL-CCVNUDIWSA-N
MW632.24 g/mol
LogP6.03
Rot. Bonds5

About 3-(3,6-diiodocarbazol-9-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide

3-(3,6-diiodocarbazol-9-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide (PubChem CID 135554404) has the molecular formula C24H18I2N4O and a molecular weight of 632.24 g/mol. Its IUPAC name is 3-(3,6-diiodocarbazol-9-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name3-(3,6-diiodocarbazol-9-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
PubChem CID135554404
Molecular FormulaC24H18I2N4O
Molecular Weight632.24 g/mol
Exact Mass631.96
IUPAC Name3-(3,6-diiodocarbazol-9-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
SMILESO=C(CCn1c2ccc(I)cc2c2cc(I)ccc21)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C24H18I2N4O/c25-16-5-7-22-19(11-16)20-12-17(26)6-8-23(20)30(22)10-9-24(31)29-28-14-15-13-27-21-4-2-1-3-18(15)21/h1-8,11-14,27H,9-10H2,(H,29,31)/b28-14+
InChIKeyOVEBGNHASYLWLL-CCVNUDIWSA-N
XLogP6.03
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.24
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N'-(1H-indol-3-ylmethylideneamino)-N-(4-iodo-2-methylphenyl)butanediamide
CID 3864324
3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]propanamide
CID 6084127
N-(1H-indol-3-ylmethylideneamino)-3-(4-methylpiperazin-1-yl)propanamide
CID 790904
3-(3,6-diiodocarbazol-9-yl)-N-[(4-fluorophenyl)methylideneamino]propanamide
CID 3618962
3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide
CID 4681398
N-(1H-indol-3-ylmethylideneamino)hexadecanamide
CID 136905846
3-(benzotriazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135635859
N-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide
CID 6256527
N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide
CID 3422533
N-(3,4-dimethylphenyl)-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136720944
3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]propanamide
CID 6382683

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-diiodocarbazol-9-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide?
The IUPAC name of 3-(3,6-diiodocarbazol-9-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide (CID 135554404) is 3-(3,6-diiodocarbazol-9-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide.
What is the SMILES notation for 3-(3,6-diiodocarbazol-9-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide?
The canonical SMILES for 3-(3,6-diiodocarbazol-9-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide is O=C(CCn1c2ccc(I)cc2c2cc(I)ccc21)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of 3-(3,6-diiodocarbazol-9-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide?
The InChIKey is OVEBGNHASYLWLL-CCVNUDIWSA-N. The full InChI is InChI=1S/C24H18I2N4O/c25-16-5-7-22-19(11-16)20-12-17(26)6-8-23(20)30(22)10-9-24(31)29-28-14-15-13-27-21-4-2-1-3-18(15)21/h1-8,11-14,27H,9-10H2,(H,29,31)/b28-14+.
What are the key properties of 3-(3,6-diiodocarbazol-9-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide?
3-(3,6-diiodocarbazol-9-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide has a molecular weight of 632.24 g/mol, XLogP of 6.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-diiodocarbazol-9-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide is sourced from PubChem (CID 135554404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).