4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)benzenediazonium

C25H20N3O+ — CID 10669455

IUPAC4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)benzenediazonium
SMILESCC1(C)CC(=O)c2c(nc3ccc4ccccc4c3c2-c2ccc([N+]#N)cc2)C1
InChIInChI=1S/C25H20N3O/c1-25(2)13-20-24(21(29)14-25)22(16-7-10-17(28-26)11-8-16)23-18-6-4-3-5-15(18)9-12-19(23)27-20/h3-12H,13-14H2,1-2H3/q+1
InChIKeyOUJCZBKNYACNFK-UHFFFAOYSA-N
MW378.46 g/mol
LogP6.69
Rot. Bonds1

About 4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)benzenediazonium

4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)benzenediazonium (PubChem CID 10669455) has the molecular formula C25H20N3O+ and a molecular weight of 378.46 g/mol. Its IUPAC name is 4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)benzenediazonium.

Molecular Properties

Compound Name4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)benzenediazonium
PubChem CID10669455
Molecular FormulaC25H20N3O+
Molecular Weight378.46 g/mol
Exact Mass378.16
IUPAC Name4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)benzenediazonium
SMILESCC1(C)CC(=O)c2c(nc3ccc4ccccc4c3c2-c2ccc([N+]#N)cc2)C1
InChIInChI=1S/C25H20N3O/c1-25(2)13-20-24(21(29)14-25)22(16-7-10-17(28-26)11-8-16)23-18-6-4-3-5-15(18)9-12-19(23)27-20/h3-12H,13-14H2,1-2H3/q+1
InChIKeyOUJCZBKNYACNFK-UHFFFAOYSA-N
XLogP6.69
TPSA58.11 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.46
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

12-(4-hydroxyphenyl)-9,9-dimethyl-8,10-dihydrobenzo[a]acridin-11-one
CID 135577930
4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)benzenediazonium
CID 10835575
9-(ethylamino)-3,3-dimethyl-2,4-dihydroacridin-1-one;hydrochloride
CID 44668985
12-(4-methylphenyl)benzo[a]acridine
CID 46187960
5-[4-[4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)phenyl]phenyl]-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
CID 3378842
3,3-dimethyl-2,4-dihydrophenazin-1-one
CID 12676417
2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylic acid
CID 778088
4-(4-chlorophenyl)-3,7,7-trimethyl-1-phenyl-6,8-dihydropyrazolo[3,4-b]quinolin-5-one
CID 53243028
22-amino-2-(4-methoxyphenyl)-18,18-dimethyl-13-oxa-15-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16(21)-octaen-20-one
CID 139218109
5-(4-methoxyphenyl)-1,3,8,8-tetramethyl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione
CID 73485040
1,3,8,8-tetramethyl-5-pyridin-4-yl-7,9-dihydropyrimido[4,5-b]quinoline-2,4,6-trione
CID 73485056
3,7,7-trimethyl-4-(4-nitrophenyl)-2-phenyl-6,8-dihydroquinolin-5-one
CID 102112501

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)benzenediazonium?
The IUPAC name of 4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)benzenediazonium (CID 10669455) is 4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)benzenediazonium.
What is the SMILES notation for 4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)benzenediazonium?
The canonical SMILES for 4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)benzenediazonium is CC1(C)CC(=O)c2c(nc3ccc4ccccc4c3c2-c2ccc([N+]#N)cc2)C1.
What is the InChIKey of 4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)benzenediazonium?
The InChIKey is OUJCZBKNYACNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N3O/c1-25(2)13-20-24(21(29)14-25)22(16-7-10-17(28-26)11-8-16)23-18-6-4-3-5-15(18)9-12-19(23)27-20/h3-12H,13-14H2,1-2H3/q+1.
What are the key properties of 4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)benzenediazonium?
4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)benzenediazonium has a molecular weight of 378.46 g/mol, XLogP of 6.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)benzenediazonium is sourced from PubChem (CID 10669455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).