N-(4-iodophenyl)-7-(4-iodophenyl)iminophenothiazin-3-amine

C24H15I2N3S — CID 100990015

IUPACN-(4-iodophenyl)-7-(4-iodophenyl)iminophenothiazin-3-amine
SMILESIc1ccc(/N=c2\ccc3nc4ccc(Nc5ccc(I)cc5)cc4sc-3c2)cc1
InChIInChI=1S/C24H15I2N3S/c25-15-1-5-17(6-2-15)27-19-9-11-21-23(13-19)30-24-14-20(10-12-22(24)29-21)28-18-7-3-16(26)4-8-18/h1-14,27H/b28-20+
InChIKeyNLQMQPOHLDZUNQ-VFCFBJKWSA-N
MW631.28 g/mol
LogP7.59
Rot. Bonds3

About N-(4-iodophenyl)-7-(4-iodophenyl)iminophenothiazin-3-amine

N-(4-iodophenyl)-7-(4-iodophenyl)iminophenothiazin-3-amine (PubChem CID 100990015) has the molecular formula C24H15I2N3S and a molecular weight of 631.28 g/mol. Its IUPAC name is N-(4-iodophenyl)-7-(4-iodophenyl)iminophenothiazin-3-amine.

Molecular Properties

Compound NameN-(4-iodophenyl)-7-(4-iodophenyl)iminophenothiazin-3-amine
PubChem CID100990015
Molecular FormulaC24H15I2N3S
Molecular Weight631.28 g/mol
Exact Mass630.91
IUPAC NameN-(4-iodophenyl)-7-(4-iodophenyl)iminophenothiazin-3-amine
SMILESIc1ccc(/N=c2\ccc3nc4ccc(Nc5ccc(I)cc5)cc4sc-3c2)cc1
InChIInChI=1S/C24H15I2N3S/c25-15-1-5-17(6-2-15)27-19-9-11-21-23(13-19)30-24-14-20(10-12-22(24)29-21)28-18-7-3-16(26)4-8-18/h1-14,27H/b28-20+
InChIKeyNLQMQPOHLDZUNQ-VFCFBJKWSA-N
XLogP7.59
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.28
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-(4-iodophenyl)-7-(4-iodophenyl)iminophenothiazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-7-(4-iodophenyl)iminophenothiazin-3-amine?
The IUPAC name of N-(4-iodophenyl)-7-(4-iodophenyl)iminophenothiazin-3-amine (CID 100990015) is N-(4-iodophenyl)-7-(4-iodophenyl)iminophenothiazin-3-amine.
What is the SMILES notation for N-(4-iodophenyl)-7-(4-iodophenyl)iminophenothiazin-3-amine?
The canonical SMILES for N-(4-iodophenyl)-7-(4-iodophenyl)iminophenothiazin-3-amine is Ic1ccc(/N=c2\ccc3nc4ccc(Nc5ccc(I)cc5)cc4sc-3c2)cc1.
What is the InChIKey of N-(4-iodophenyl)-7-(4-iodophenyl)iminophenothiazin-3-amine?
The InChIKey is NLQMQPOHLDZUNQ-VFCFBJKWSA-N. The full InChI is InChI=1S/C24H15I2N3S/c25-15-1-5-17(6-2-15)27-19-9-11-21-23(13-19)30-24-14-20(10-12-22(24)29-21)28-18-7-3-16(26)4-8-18/h1-14,27H/b28-20+.
What are the key properties of N-(4-iodophenyl)-7-(4-iodophenyl)iminophenothiazin-3-amine?
N-(4-iodophenyl)-7-(4-iodophenyl)iminophenothiazin-3-amine has a molecular weight of 631.28 g/mol, XLogP of 7.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-7-(4-iodophenyl)iminophenothiazin-3-amine is sourced from PubChem (CID 100990015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).