N-phenylphenothiazin-3-imine

C18H12N2S — CID 11219951

IUPACN-phenylphenothiazin-3-imine
SMILESc1ccc(/N=c2\ccc3nc4ccccc4sc-3c2)cc1
InChIInChI=1S/C18H12N2S/c1-2-6-13(7-3-1)19-14-10-11-16-18(12-14)21-17-9-5-4-8-15(17)20-16/h1-12H/b19-14+
InChIKeyDLZPPUIHGWXDNJ-XMHGGMMESA-N
MW288.38 g/mol
LogP4.63
Rot. Bonds1

About N-phenylphenothiazin-3-imine

N-phenylphenothiazin-3-imine (PubChem CID 11219951) has the molecular formula C18H12N2S and a molecular weight of 288.38 g/mol. Its IUPAC name is N-phenylphenothiazin-3-imine.

Molecular Properties

Compound NameN-phenylphenothiazin-3-imine
PubChem CID11219951
Molecular FormulaC18H12N2S
Molecular Weight288.38 g/mol
Exact Mass288.07
IUPAC NameN-phenylphenothiazin-3-imine
SMILESc1ccc(/N=c2\ccc3nc4ccccc4sc-3c2)cc1
InChIInChI=1S/C18H12N2S/c1-2-6-13(7-3-1)19-14-10-11-16-18(12-14)21-17-9-5-4-8-15(17)20-16/h1-12H/b19-14+
InChIKeyDLZPPUIHGWXDNJ-XMHGGMMESA-N
XLogP4.63
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;5-(phenothiazin-3-ylideneamino)benzene-1,3-dicarboxylic acid
CID 173012429
phenothiazin-3-ylideneazanium
CID 88897995
1-[5-(phenothiazin-3-ylideneamino)furan-2-yl]ethanone
CID 161044936
N-(4-iodophenyl)-7-(4-iodophenyl)iminophenothiazin-3-amine
CID 100990015
[4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]phenyl]methanamine
CID 10150554
hexane;phenothiazin-3-one
CID 170982113
2-quinolin-2-ylthieno[3,2-b]pyridine
CID 171365776
2-(1-benzothiophen-2-yl)-4-methylquinoline
CID 71817881
2-(1-benzothiophen-2-yl)benzo[g]quinoline
CID 102420322
3-oxophenothiazine-2-carbonitrile
CID 71385021
10H-phenoxazine;N-phenylphenoxazin-3-imine
CID 155125781
dibutyl(phenothiazin-3-ylidene)azanium perchlorate
CID 10432510

Frequently Asked Questions

What is the IUPAC name of N-phenylphenothiazin-3-imine?
The IUPAC name of N-phenylphenothiazin-3-imine (CID 11219951) is N-phenylphenothiazin-3-imine.
What is the SMILES notation for N-phenylphenothiazin-3-imine?
The canonical SMILES for N-phenylphenothiazin-3-imine is c1ccc(/N=c2\ccc3nc4ccccc4sc-3c2)cc1.
What is the InChIKey of N-phenylphenothiazin-3-imine?
The InChIKey is DLZPPUIHGWXDNJ-XMHGGMMESA-N. The full InChI is InChI=1S/C18H12N2S/c1-2-6-13(7-3-1)19-14-10-11-16-18(12-14)21-17-9-5-4-8-15(17)20-16/h1-12H/b19-14+.
What are the key properties of N-phenylphenothiazin-3-imine?
N-phenylphenothiazin-3-imine has a molecular weight of 288.38 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylphenothiazin-3-imine is sourced from PubChem (CID 11219951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).