(4-methylphenyl)-(3H-pyrrol-2-yl)diazene;tungsten

C11H11N3W3 — CID 23597691

IUPAC(4-methylphenyl)-(3H-pyrrol-2-yl)diazene;tungsten
SMILESCc1ccc(/N=N/C2=NC=CC2)cc1.[W].[W].[W]
InChIInChI=1S/C11H11N3.3W/c1-9-4-6-10(7-5-9)13-14-11-3-2-8-12-11;;;/h2,4-8H,3H2,1H3;;;/b14-13+;;;
InChIKeyCCMSMRLNRDOSQR-VPOCKCTCSA-N
MW736.75 g/mol
LogP3.39
Rot. Bonds1

About (4-methylphenyl)-(3H-pyrrol-2-yl)diazene;tungsten

(4-methylphenyl)-(3H-pyrrol-2-yl)diazene;tungsten (PubChem CID 23597691) has the molecular formula C11H11N3W3 and a molecular weight of 736.75 g/mol. Its IUPAC name is (4-methylphenyl)-(3H-pyrrol-2-yl)diazene;tungsten.

Molecular Properties

Compound Name(4-methylphenyl)-(3H-pyrrol-2-yl)diazene;tungsten
PubChem CID23597691
Molecular FormulaC11H11N3W3
Molecular Weight736.75 g/mol
Exact Mass736.95
IUPAC Name(4-methylphenyl)-(3H-pyrrol-2-yl)diazene;tungsten
SMILESCc1ccc(/N=N/C2=NC=CC2)cc1.[W].[W].[W]
InChIInChI=1S/C11H11N3.3W/c1-9-4-6-10(7-5-9)13-14-11-3-2-8-12-11;;;/h2,4-8H,3H2,1H3;;;/b14-13+;;;
InChIKeyCCMSMRLNRDOSQR-VPOCKCTCSA-N
XLogP3.39
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500736.75
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

bis(4-methylphenyl)diazene
CID 10389
4-[(4-methylphenyl)diazenyl]phenol
CID 2827322
2-phenyldiazenyl-4H-pyridin-3-one
CID 173291020
4-[(4-methylphenyl)diazenyl]benzene-1,2-dithiol
CID 136745893
ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
CID 157373423
(3-methylbenzene-6-id-1-yl)-(4-methylphenyl)diazene;yttrium
CID 59137960
ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene
CID 157260661
5-methyl-2-[(4-methylphenyl)diazenyl]phenol
CID 135467997
N'-(4-methylphenyl)-N-(trimethylsilylmethyl)methanediimine
CID 102238219
1,8-bis[(4-methylphenyl)diazenyl]naphthalene-2,7-diol
CID 136671063
1-N'-(1-aminoethyl)-1-N'-[4-[(4-methylphenyl)diazenyl]phenyl]ethane-1,1-diamine
CID 89354989
1-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 157078142

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(3H-pyrrol-2-yl)diazene;tungsten?
The IUPAC name of (4-methylphenyl)-(3H-pyrrol-2-yl)diazene;tungsten (CID 23597691) is (4-methylphenyl)-(3H-pyrrol-2-yl)diazene;tungsten.
What is the SMILES notation for (4-methylphenyl)-(3H-pyrrol-2-yl)diazene;tungsten?
The canonical SMILES for (4-methylphenyl)-(3H-pyrrol-2-yl)diazene;tungsten is Cc1ccc(/N=N/C2=NC=CC2)cc1.[W].[W].[W].
What is the InChIKey of (4-methylphenyl)-(3H-pyrrol-2-yl)diazene;tungsten?
The InChIKey is CCMSMRLNRDOSQR-VPOCKCTCSA-N. The full InChI is InChI=1S/C11H11N3.3W/c1-9-4-6-10(7-5-9)13-14-11-3-2-8-12-11;;;/h2,4-8H,3H2,1H3;;;/b14-13+;;;.
What are the key properties of (4-methylphenyl)-(3H-pyrrol-2-yl)diazene;tungsten?
(4-methylphenyl)-(3H-pyrrol-2-yl)diazene;tungsten has a molecular weight of 736.75 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(3H-pyrrol-2-yl)diazene;tungsten is sourced from PubChem (CID 23597691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).