(2,2-dimethyl-1,3-dihydrobenzo[de]quinolin-6-yl)-(4-nitronaphthalen-1-yl)diazene

C24H20N4O2 — CID 57312768

IUPAC(2,2-dimethyl-1,3-dihydrobenzo[de]quinolin-6-yl)-(4-nitronaphthalen-1-yl)diazene
SMILESCC1(C)Cc2ccc(/N=N/c3ccc([N+](=O)[O-])c4ccccc34)c3cccc(c23)N1
InChIInChI=1S/C24H20N4O2/c1-24(2)14-15-10-11-20(18-8-5-9-21(25-24)23(15)18)27-26-19-12-13-22(28(29)30)17-7-4-3-6-16(17)19/h3-13,25H,14H2,1-2H3/b27-26+
InChIKeyQPDXKGLOUQZQJF-CYYJNZCTSA-N
MW396.45 g/mol
LogP7.06
Rot. Bonds3

About (2,2-dimethyl-1,3-dihydrobenzo[de]quinolin-6-yl)-(4-nitronaphthalen-1-yl)diazene

(2,2-dimethyl-1,3-dihydrobenzo[de]quinolin-6-yl)-(4-nitronaphthalen-1-yl)diazene (PubChem CID 57312768) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dihydrobenzo[de]quinolin-6-yl)-(4-nitronaphthalen-1-yl)diazene.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dihydrobenzo[de]quinolin-6-yl)-(4-nitronaphthalen-1-yl)diazene
PubChem CID57312768
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name(2,2-dimethyl-1,3-dihydrobenzo[de]quinolin-6-yl)-(4-nitronaphthalen-1-yl)diazene
SMILESCC1(C)Cc2ccc(/N=N/c3ccc([N+](=O)[O-])c4ccccc34)c3cccc(c23)N1
InChIInChI=1S/C24H20N4O2/c1-24(2)14-15-10-11-20(18-8-5-9-21(25-24)23(15)18)27-26-19-12-13-22(28(29)30)17-7-4-3-6-16(17)19/h3-13,25H,14H2,1-2H3/b27-26+
InChIKeyQPDXKGLOUQZQJF-CYYJNZCTSA-N
XLogP7.06
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dihydrobenzo[de]quinolin-6-yl)-(4-nitronaphthalen-1-yl)diazene?
The IUPAC name of (2,2-dimethyl-1,3-dihydrobenzo[de]quinolin-6-yl)-(4-nitronaphthalen-1-yl)diazene (CID 57312768) is (2,2-dimethyl-1,3-dihydrobenzo[de]quinolin-6-yl)-(4-nitronaphthalen-1-yl)diazene.
What is the SMILES notation for (2,2-dimethyl-1,3-dihydrobenzo[de]quinolin-6-yl)-(4-nitronaphthalen-1-yl)diazene?
The canonical SMILES for (2,2-dimethyl-1,3-dihydrobenzo[de]quinolin-6-yl)-(4-nitronaphthalen-1-yl)diazene is CC1(C)Cc2ccc(/N=N/c3ccc([N+](=O)[O-])c4ccccc34)c3cccc(c23)N1.
What is the InChIKey of (2,2-dimethyl-1,3-dihydrobenzo[de]quinolin-6-yl)-(4-nitronaphthalen-1-yl)diazene?
The InChIKey is QPDXKGLOUQZQJF-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-24(2)14-15-10-11-20(18-8-5-9-21(25-24)23(15)18)27-26-19-12-13-22(28(29)30)17-7-4-3-6-16(17)19/h3-13,25H,14H2,1-2H3/b27-26+.
What are the key properties of (2,2-dimethyl-1,3-dihydrobenzo[de]quinolin-6-yl)-(4-nitronaphthalen-1-yl)diazene?
(2,2-dimethyl-1,3-dihydrobenzo[de]quinolin-6-yl)-(4-nitronaphthalen-1-yl)diazene has a molecular weight of 396.45 g/mol, XLogP of 7.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dihydrobenzo[de]quinolin-6-yl)-(4-nitronaphthalen-1-yl)diazene is sourced from PubChem (CID 57312768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).