(1,2-diphenylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene

C24H20N4S — CID 87591807

IUPAC(1,2-diphenylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene
SMILESCN1C=CSC1/N=N/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C24H20N4S/c1-27-16-17-29-24(27)26-25-22-20-14-8-9-15-21(20)28(19-12-6-3-7-13-19)23(22)18-10-4-2-5-11-18/h2-17,24H,1H3/b26-25+
InChIKeyQKUYPILFJLAWFR-OCEACIFDSA-N
MW396.52 g/mol
LogP6.81
Rot. Bonds4

About (1,2-diphenylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene

(1,2-diphenylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene (PubChem CID 87591807) has the molecular formula C24H20N4S and a molecular weight of 396.52 g/mol. Its IUPAC name is (1,2-diphenylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene.

Molecular Properties

Compound Name(1,2-diphenylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene
PubChem CID87591807
Molecular FormulaC24H20N4S
Molecular Weight396.52 g/mol
Exact Mass396.14
IUPAC Name(1,2-diphenylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene
SMILESCN1C=CSC1/N=N/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C24H20N4S/c1-27-16-17-29-24(27)26-25-22-20-14-8-9-15-21(20)28(19-12-6-3-7-13-19)23(22)18-10-4-2-5-11-18/h2-17,24H,1H3/b26-25+
InChIKeyQKUYPILFJLAWFR-OCEACIFDSA-N
XLogP6.81
TPSA32.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.52
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)-(1,2-diphenylindol-3-yl)diazene bromide
CID 68831281
(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(1,2-diphenylindol-3-yl)diazene bromide
CID 68832557
2-[(1,2-diphenylindol-3-yl)diazenyl]-N,N-diethyl-3-methyl-1,3-thiazol-3-ium-5-amine chloride
CID 68832275
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
1-(4-fluorophenyl)-3-methyl-2-phenylindole
CID 11551202
(1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)diazene
CID 87592312
N-[(1,2-diphenylindol-3-yl)methylideneamino]-N-methylmethanamine
CID 2319936
2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinoxaline
CID 129085638
N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide
CID 3485439
(1-methyl-2-phenylindol-3-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene;methyl sulfate
CID 71356521
ethane;9-methylcarbazole;9-phenylcarbazole
CID 159293304
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573

Frequently Asked Questions

What is the IUPAC name of (1,2-diphenylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene?
The IUPAC name of (1,2-diphenylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene (CID 87591807) is (1,2-diphenylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene.
What is the SMILES notation for (1,2-diphenylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene?
The canonical SMILES for (1,2-diphenylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene is CN1C=CSC1/N=N/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of (1,2-diphenylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene?
The InChIKey is QKUYPILFJLAWFR-OCEACIFDSA-N. The full InChI is InChI=1S/C24H20N4S/c1-27-16-17-29-24(27)26-25-22-20-14-8-9-15-21(20)28(19-12-6-3-7-13-19)23(22)18-10-4-2-5-11-18/h2-17,24H,1H3/b26-25+.
What are the key properties of (1,2-diphenylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene?
(1,2-diphenylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene has a molecular weight of 396.52 g/mol, XLogP of 6.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-diphenylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene is sourced from PubChem (CID 87591807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).