N-[4-(4-iodophenyl)phenyl]-10H-phenothiazin-1-amine

C24H17IN2S — CID 139958845

IUPACN-[4-(4-iodophenyl)phenyl]-10H-phenothiazin-1-amine
SMILESIc1ccc(-c2ccc(Nc3cccc4c3Nc3ccccc3S4)cc2)cc1
InChIInChI=1S/C24H17IN2S/c25-18-12-8-16(9-13-18)17-10-14-19(15-11-17)26-21-5-3-7-23-24(21)27-20-4-1-2-6-22(20)28-23/h1-15,26-27H
InChIKeyISKOZSHVHWOCLX-UHFFFAOYSA-N
MW492.39 g/mol
LogP7.91
Rot. Bonds3

About N-[4-(4-iodophenyl)phenyl]-10H-phenothiazin-1-amine

N-[4-(4-iodophenyl)phenyl]-10H-phenothiazin-1-amine (PubChem CID 139958845) has the molecular formula C24H17IN2S and a molecular weight of 492.39 g/mol. Its IUPAC name is N-[4-(4-iodophenyl)phenyl]-10H-phenothiazin-1-amine.

Molecular Properties

Compound NameN-[4-(4-iodophenyl)phenyl]-10H-phenothiazin-1-amine
PubChem CID139958845
Molecular FormulaC24H17IN2S
Molecular Weight492.39 g/mol
Exact Mass492.02
IUPAC NameN-[4-(4-iodophenyl)phenyl]-10H-phenothiazin-1-amine
SMILESIc1ccc(-c2ccc(Nc3cccc4c3Nc3ccccc3S4)cc2)cc1
InChIInChI=1S/C24H17IN2S/c25-18-12-8-16(9-13-18)17-10-14-19(15-11-17)26-21-5-3-7-23-24(21)27-20-4-1-2-6-22(20)28-23/h1-15,26-27H
InChIKeyISKOZSHVHWOCLX-UHFFFAOYSA-N
XLogP7.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.39
LogP ≤ 57.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine
CID 156694386
1-(10H-phenothiazin-1-yl)-3-phenylurea
CID 139973448
1-[6-(10H-phenothiazin-1-yl)hexyl]-10H-phenothiazine
CID 141242278
1-(4-ethenylphenyl)-10H-phenothiazine
CID 57281785
1-(dichloromethyl)-10H-phenothiazine
CID 175351816
ethane;10H-phenothiazine
CID 90730014
copper;10H-phenothiazine;hydrochloride
CID 70634229
3-(10H-phenothiazin-1-yl)prop-1-en-1-amine
CID 66898751
2-chloro-6-(4-iodoanilino)benzonitrile
CID 55195945
10H-phenothiazine-1,2-diol
CID 19596784
1-butyl-10H-phenothiazine;hydrate;tetrahydroiodide
CID 173481515
4-iodo-N-phenylaniline
CID 11471947

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-iodophenyl)phenyl]-10H-phenothiazin-1-amine?
The IUPAC name of N-[4-(4-iodophenyl)phenyl]-10H-phenothiazin-1-amine (CID 139958845) is N-[4-(4-iodophenyl)phenyl]-10H-phenothiazin-1-amine.
What is the SMILES notation for N-[4-(4-iodophenyl)phenyl]-10H-phenothiazin-1-amine?
The canonical SMILES for N-[4-(4-iodophenyl)phenyl]-10H-phenothiazin-1-amine is Ic1ccc(-c2ccc(Nc3cccc4c3Nc3ccccc3S4)cc2)cc1.
What is the InChIKey of N-[4-(4-iodophenyl)phenyl]-10H-phenothiazin-1-amine?
The InChIKey is ISKOZSHVHWOCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17IN2S/c25-18-12-8-16(9-13-18)17-10-14-19(15-11-17)26-21-5-3-7-23-24(21)27-20-4-1-2-6-22(20)28-23/h1-15,26-27H.
What are the key properties of N-[4-(4-iodophenyl)phenyl]-10H-phenothiazin-1-amine?
N-[4-(4-iodophenyl)phenyl]-10H-phenothiazin-1-amine has a molecular weight of 492.39 g/mol, XLogP of 7.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-iodophenyl)phenyl]-10H-phenothiazin-1-amine is sourced from PubChem (CID 139958845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).