2-tert-butyl-10-(4-iodophenyl)-9H-acridine

C23H22IN — CID 134425823

IUPAC2-tert-butyl-10-(4-iodophenyl)-9H-acridine
SMILESCC(C)(C)c1ccc2c(c1)Cc1ccccc1N2c1ccc(I)cc1
InChIInChI=1S/C23H22IN/c1-23(2,3)18-8-13-22-17(15-18)14-16-6-4-5-7-21(16)25(22)20-11-9-19(24)10-12-20/h4-13,15H,14H2,1-3H3
InChIKeyIIBVUBOXEBGVQM-UHFFFAOYSA-N
MW439.34 g/mol
LogP6.96
Rot. Bonds1

About 2-tert-butyl-10-(4-iodophenyl)-9H-acridine

2-tert-butyl-10-(4-iodophenyl)-9H-acridine (PubChem CID 134425823) has the molecular formula C23H22IN and a molecular weight of 439.34 g/mol. Its IUPAC name is 2-tert-butyl-10-(4-iodophenyl)-9H-acridine.

Molecular Properties

Compound Name2-tert-butyl-10-(4-iodophenyl)-9H-acridine
PubChem CID134425823
Molecular FormulaC23H22IN
Molecular Weight439.34 g/mol
Exact Mass439.08
IUPAC Name2-tert-butyl-10-(4-iodophenyl)-9H-acridine
SMILESCC(C)(C)c1ccc2c(c1)Cc1ccccc1N2c1ccc(I)cc1
InChIInChI=1S/C23H22IN/c1-23(2,3)18-8-13-22-17(15-18)14-16-6-4-5-7-21(16)25(22)20-11-9-19(24)10-12-20/h4-13,15H,14H2,1-3H3
InChIKeyIIBVUBOXEBGVQM-UHFFFAOYSA-N
XLogP6.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.34
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 122432558
2,7,10-tritert-butyl-9H-acridine
CID 143619997
10-(4-ethylphenyl)-9H-acridine
CID 131970743
5-(4-tert-butylphenyl)-10-phenylphenazine
CID 90180989
2-tert-butyl-10-methyl-7-(2-methylbutan-2-yl)-9H-acridine
CID 143642288
5-iodo-1-phenyl-3H-indol-2-one
CID 139061934
2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene]
CID 143268544
3-tert-butyl-10-phenylphenothiazine
CID 134252291
2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine
CID 135248210
10-(4-nitrophenyl)-9H-acridine
CID 12969132
8-methyl-5-(4-methylphenyl)-13,14-dihydroquinolino[3,2-a]acridine
CID 158800879
4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)aniline
CID 59935116

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-10-(4-iodophenyl)-9H-acridine?
The IUPAC name of 2-tert-butyl-10-(4-iodophenyl)-9H-acridine (CID 134425823) is 2-tert-butyl-10-(4-iodophenyl)-9H-acridine.
What is the SMILES notation for 2-tert-butyl-10-(4-iodophenyl)-9H-acridine?
The canonical SMILES for 2-tert-butyl-10-(4-iodophenyl)-9H-acridine is CC(C)(C)c1ccc2c(c1)Cc1ccccc1N2c1ccc(I)cc1.
What is the InChIKey of 2-tert-butyl-10-(4-iodophenyl)-9H-acridine?
The InChIKey is IIBVUBOXEBGVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22IN/c1-23(2,3)18-8-13-22-17(15-18)14-16-6-4-5-7-21(16)25(22)20-11-9-19(24)10-12-20/h4-13,15H,14H2,1-3H3.
What are the key properties of 2-tert-butyl-10-(4-iodophenyl)-9H-acridine?
2-tert-butyl-10-(4-iodophenyl)-9H-acridine has a molecular weight of 439.34 g/mol, XLogP of 6.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-10-(4-iodophenyl)-9H-acridine is sourced from PubChem (CID 134425823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).