3,6-ditert-butyl-10-phenylacridin-9-one

C27H29NO — CID 139036050

IUPAC3,6-ditert-butyl-10-phenylacridin-9-one
SMILESCC(C)(C)c1ccc2c(=O)c3ccc(C(C)(C)C)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C27H29NO/c1-26(2,3)18-12-14-21-23(16-18)28(20-10-8-7-9-11-20)24-17-19(27(4,5)6)13-15-22(24)25(21)29/h7-17H,1-6H3
InChIKeyTUQNVKXKYRDLPU-UHFFFAOYSA-N
MW383.54 g/mol
LogP6.74
Rot. Bonds1

About 3,6-ditert-butyl-10-phenylacridin-9-one

3,6-ditert-butyl-10-phenylacridin-9-one (PubChem CID 139036050) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is 3,6-ditert-butyl-10-phenylacridin-9-one.

Molecular Properties

Compound Name3,6-ditert-butyl-10-phenylacridin-9-one
PubChem CID139036050
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC Name3,6-ditert-butyl-10-phenylacridin-9-one
SMILESCC(C)(C)c1ccc2c(=O)c3ccc(C(C)(C)C)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C27H29NO/c1-26(2,3)18-12-14-21-23(16-18)28(20-10-8-7-9-11-20)24-17-19(27(4,5)6)13-15-22(24)25(21)29/h7-17H,1-6H3
InChIKeyTUQNVKXKYRDLPU-UHFFFAOYSA-N
XLogP6.74
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-7-(2-methylsulfanylpropan-2-yl)-9-phenylcarbazole
CID 170187898
3,10-ditert-butyl-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione
CID 168823353
2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one
CID 176670415
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
3,6-difluoro-10-phenylacridin-9-one
CID 156785373
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
7-tert-butyl-9-phenylcarbazole-3-carbonitrile
CID 164818835
5,7-diphenylquinolino[3,2-b]acridine-12,14-dione
CID 146333918
9-(4-bromophenyl)-2-tert-butylcarbazole
CID 142745661
6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 146666361
9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole
CID 160742117
2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-(9-phenylcarbazol-3-yl)carbazole;9-(4-tert-butylphenyl)-3-carbazol-9-ylcarbazole;3-tert-butyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159742903

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-10-phenylacridin-9-one?
The IUPAC name of 3,6-ditert-butyl-10-phenylacridin-9-one (CID 139036050) is 3,6-ditert-butyl-10-phenylacridin-9-one.
What is the SMILES notation for 3,6-ditert-butyl-10-phenylacridin-9-one?
The canonical SMILES for 3,6-ditert-butyl-10-phenylacridin-9-one is CC(C)(C)c1ccc2c(=O)c3ccc(C(C)(C)C)cc3n(-c3ccccc3)c2c1.
What is the InChIKey of 3,6-ditert-butyl-10-phenylacridin-9-one?
The InChIKey is TUQNVKXKYRDLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO/c1-26(2,3)18-12-14-21-23(16-18)28(20-10-8-7-9-11-20)24-17-19(27(4,5)6)13-15-22(24)25(21)29/h7-17H,1-6H3.
What are the key properties of 3,6-ditert-butyl-10-phenylacridin-9-one?
3,6-ditert-butyl-10-phenylacridin-9-one has a molecular weight of 383.54 g/mol, XLogP of 6.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-10-phenylacridin-9-one is sourced from PubChem (CID 139036050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).