2,7-dibromo-9,9-dimethyl-10H-acridine;2,7-dibromo-9,9-dimethyl-10-phenylacridine;iodobenzene

C42H35Br4IN2 — CID 162173008

IUPAC2,7-dibromo-9,9-dimethyl-10H-acridine;2,7-dibromo-9,9-dimethyl-10-phenylacridine;iodobenzene
SMILESCC1(C)c2cc(Br)ccc2N(c2ccccc2)c2ccc(Br)cc21.CC1(C)c2cc(Br)ccc2Nc2ccc(Br)cc21.Ic1ccccc1
InChIInChI=1S/C21H17Br2N.C15H13Br2N.C6H5I/c1-21(2)17-12-14(22)8-10-19(17)24(16-6-4-3-5-7-16)20-11-9-15(23)13-18(20)21;1-15(2)11-7-9(16)3-5-13(11)18-14-6-4-10(17)8-12(14)15;7-6-4-2-1-3-5-6/h3-13H,1-2H3;3-8,18H,1-2H3;1-5H
InChIKeyZOAOTJURUOBOMU-UHFFFAOYSA-N
MW1014.28 g/mol
LogP15.21
Rot. Bonds1

About 2,7-dibromo-9,9-dimethyl-10H-acridine;2,7-dibromo-9,9-dimethyl-10-phenylacridine;iodobenzene

2,7-dibromo-9,9-dimethyl-10H-acridine;2,7-dibromo-9,9-dimethyl-10-phenylacridine;iodobenzene (PubChem CID 162173008) has the molecular formula C42H35Br4IN2 and a molecular weight of 1014.28 g/mol. Its IUPAC name is 2,7-dibromo-9,9-dimethyl-10H-acridine;2,7-dibromo-9,9-dimethyl-10-phenylacridine;iodobenzene.

Molecular Properties

Compound Name2,7-dibromo-9,9-dimethyl-10H-acridine;2,7-dibromo-9,9-dimethyl-10-phenylacridine;iodobenzene
PubChem CID162173008
Molecular FormulaC42H35Br4IN2
Molecular Weight1014.28 g/mol
Exact Mass1009.86
IUPAC Name2,7-dibromo-9,9-dimethyl-10H-acridine;2,7-dibromo-9,9-dimethyl-10-phenylacridine;iodobenzene
SMILESCC1(C)c2cc(Br)ccc2N(c2ccccc2)c2ccc(Br)cc21.CC1(C)c2cc(Br)ccc2Nc2ccc(Br)cc21.Ic1ccccc1
InChIInChI=1S/C21H17Br2N.C15H13Br2N.C6H5I/c1-21(2)17-12-14(22)8-10-19(17)24(16-6-4-3-5-7-16)20-11-9-15(23)13-18(20)21;1-15(2)11-7-9(16)3-5-13(11)18-14-6-4-10(17)8-12(14)15;7-6-4-2-1-3-5-6/h3-13H,1-2H3;3-8,18H,1-2H3;1-5H
InChIKeyZOAOTJURUOBOMU-UHFFFAOYSA-N
XLogP15.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001014.28
LogP ≤ 515.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,9-dimethyl-10H-acridine;2,7-dibromo-9,9-dimethyl-10-phenylacridine;iodobenzene?
The IUPAC name of 2,7-dibromo-9,9-dimethyl-10H-acridine;2,7-dibromo-9,9-dimethyl-10-phenylacridine;iodobenzene (CID 162173008) is 2,7-dibromo-9,9-dimethyl-10H-acridine;2,7-dibromo-9,9-dimethyl-10-phenylacridine;iodobenzene.
What is the SMILES notation for 2,7-dibromo-9,9-dimethyl-10H-acridine;2,7-dibromo-9,9-dimethyl-10-phenylacridine;iodobenzene?
The canonical SMILES for 2,7-dibromo-9,9-dimethyl-10H-acridine;2,7-dibromo-9,9-dimethyl-10-phenylacridine;iodobenzene is CC1(C)c2cc(Br)ccc2N(c2ccccc2)c2ccc(Br)cc21.CC1(C)c2cc(Br)ccc2Nc2ccc(Br)cc21.Ic1ccccc1.
What is the InChIKey of 2,7-dibromo-9,9-dimethyl-10H-acridine;2,7-dibromo-9,9-dimethyl-10-phenylacridine;iodobenzene?
The InChIKey is ZOAOTJURUOBOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Br2N.C15H13Br2N.C6H5I/c1-21(2)17-12-14(22)8-10-19(17)24(16-6-4-3-5-7-16)20-11-9-15(23)13-18(20)21;1-15(2)11-7-9(16)3-5-13(11)18-14-6-4-10(17)8-12(14)15;7-6-4-2-1-3-5-6/h3-13H,1-2H3;3-8,18H,1-2H3;1-5H.
What are the key properties of 2,7-dibromo-9,9-dimethyl-10H-acridine;2,7-dibromo-9,9-dimethyl-10-phenylacridine;iodobenzene?
2,7-dibromo-9,9-dimethyl-10H-acridine;2,7-dibromo-9,9-dimethyl-10-phenylacridine;iodobenzene has a molecular weight of 1014.28 g/mol, XLogP of 15.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9,9-dimethyl-10H-acridine;2,7-dibromo-9,9-dimethyl-10-phenylacridine;iodobenzene is sourced from PubChem (CID 162173008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).